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Conjugated Organometallic Systems and Development to Physical Properties

Research Project

Project/Area Number 06101004
Research Category

Grant-in-Aid for Specially Promoted Research

Allocation TypeSingle-year Grants
Review Section Chemistry
Research InstitutionOsaka University (1995-1996)
Okazaki National Research Institutes (1994)

Principal Investigator

NAKAMURA Akira  Osaka Univ., Graduate School of Science, Professor, 大学院・理学研究科, 教授 (80029404)

Co-Investigator(Kenkyū-buntansha) TAKEDA Sadamu  Gunma Univ., Faculty of Engineering, Associate Professor, 工学部, 助教授 (00155011)
MORI Wasuke  Kanagawa Univ., Faculty of Science, Professor, 理学部, 教授 (60029709)
OKAMURA Taka-aki  Osaka Univ., Graduate School of Science, Assistant Professor, 大学院・理学研究科, 助手 (90252569)
NAKANO Masayoshi  Osaka Univ., Graduate School of Science, Assistant Professor, 大学院・理学研究科, 助手 (80252568)
YAMAGUCHI Kizashi  Osaka Univ., Graduate School of Science, Professor, 大学院・理学研究科, 教授 (80029537)
中山 祐正  大阪大学, 大学院・理学研究科, 助手 (20273576)
真島 和志  大阪大学, 基礎工学部, 助教授 (70159143)
Project Period (FY) 1994 – 1996
Project Status Completed (Fiscal Year 1996)
Budget Amount *help
¥262,000,000 (Direct Cost: ¥262,000,000)
Fiscal Year 1996: ¥15,000,000 (Direct Cost: ¥15,000,000)
Fiscal Year 1995: ¥125,000,000 (Direct Cost: ¥125,000,000)
Fiscal Year 1994: ¥122,000,000 (Direct Cost: ¥122,000,000)
KeywordsConjugated Organometallic System / Metal-Metal Multiple Bond / Hydrogen Bond / Magnetic Property / Solid State NMR / MO calculation / Nonlinear Optical Property / dpi-ppi interaction / 水素結合 / 金属触媒反応制御 / シクロペンタジェニル / シクロペンタジエンル
Research Abstract

A systematic synthetic strategy to straight linear polynuclear M'-M-M-M' (M'= Pd, pt ; M =Cr, Mo) complexes was established by using a unique tridentate ligand. The Mo_2Pd_2 tetranuclear complex showed very large third order nonlinear optical activity of x^<(3)> =1.2*10^9 (esu) comparable to that of poly (diacetylene) s.
A series of transition metal (Zr, Ru) polyene complexes were synthesized. In particular, the triene and diene complexes of zirconium bearing two cyclopentadienyl (Cp) goups were found to have remarkable thermochromism in the solid state. This can be attributed to the rotational tunneling of the Cp rings as indicated by ^<13>C-CP/MAS NMR spectroscopy at cryogenic temperatures.
The bond natures for di-and tetra-nuclear complexes including Cr (II) and Mo (II) were investigated by using ab initio methods. The effective exchange integral J for these systems were calculated to elucidate all possible magnetic phases. The electronic states of d-d conjjgated systems were found to be calculated precisely by considering the non dynamical correlations, included by using UNO CAS CI and CAS SCF methods, while for reproducint the electronic states of d-p cpnjugated systems, the dynamical correlations were found to be indispensable.
A number of microporous copper (II) dicarboxylates, molybdenum (II) dicarboxylates, and ruthenium (II,III) dicarboxylates which include a large amount of gases such as N_2, O_2, and CH_4 were synthesized. The molybdenum compound showed weak electric conductivity indicating the existence of -Mo Mo-Mo Mo- linear chain.
Novel conjugated systems involving NH・・・S and NH・・・O hydrogen bonds and neighboring transition metal ions have been synthesized. Significant contributions of these metal ions have been found ; regulation of acidity of the ligand, stability of metal-ligand bond, redox potentials of the system, magnetic properties, and so on.

Report

(4 results)
  • 1996 Annual Research Report   Final Research Report Summary
  • 1995 Annual Research Report
  • 1994 Annual Research Report
  • Research Products

    (365 results)

All Other

All Publications (365 results)

  • [Publications] M.Nakano, K.Yamaguchi: "Theoretical Studies for Third-order Hyperpolarizabilities of Alternantand Condenced-ring Conjugated SystemsI." Mol.Cryst.Liq.Cryst.255. 139-148 (1994)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] K.Mashima, H.Sugiyama, A.Nakamura: "Diene Complex of Lanthanum : The Crystal Structure of a Diene-bridged Dilanthanum Complex,[LaI_2(thf)_3(μ-η^4:η^4:-PhCH=CHCH=CHPh)LaI_2(thf)_3]." J.Chem.Soc.,Chem.Commun.1994. 1581-1582 (1994)

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      1996 Final Research Report Summary
  • [Publications] K.Mashima, S.Fujikawa, H.Urata, E.Tanaka, A.Nakamura: "Polyethylene with Extremely Narrow Polydispersity Obtained from the New Catalyst SystemsNb(η^5-C_5Me_5)(η^4-diene)Cl_2-MAO and Nb(η^5-C_5Me_5)(η^4-diene)_2MAO." J.Chem.Soc.,Chem.Commun.1994. 1623-1624 (1994)

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      1996 Final Research Report Summary
  • [Publications] N.Ueyama, M.Kondo, H.Oku, A.Nakamura: "Structure and Properties of (NEt_4)_2[MoIVO(α,2-toluenedithiolato)_2]." Bull.Chem.Soc.Jpn.67. 1840-1847 (1994)

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      1996 Final Research Report Summary
  • [Publications] S.Yamanaka, T.Kawamura, T.Noro K.Yamaguchi: "Heisenberg Model for Radical Reactions.Part 3.Direct Exchange Coupling between Transition Metal Ions and Triplet Methylene." J.Mol.Struct.(Theochem). 310. 185-196 (1994)

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      1996 Final Research Report Summary
  • [Publications] S.Yamanaka, M.Okumura, M.Nakano, K.Yamaguchi: "EHF Theory of Chemical Reactions.Part 4.UNO CASSCF,UNO CASPT2 and R(U)HF Coupled-cluster (CC) Wavefunctions." J.Mol.Struct.(Theochem). 310. 205-218 (1994)

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      1996 Final Research Report Summary
  • [Publications] H.Oku, N.Ueyama, M.Kondo, A.Nakamura: "Oxygen Atom Transfer Systems in Which the (μ-Oxo) dimolybdenum (V) Complex Formation Does Not Occur : Syntheses,Structures,and Reactivities of Monooxomolybdenum (IV) Benzenedithiolato Complexes as Models of Molybdenum Oxidoreductases." Inorg.Chem.33. 209-216 (1994)

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      1996 Final Research Report Summary
  • [Publications] S.Yamanaka, T.Kawakami, H.Nagao, K.Yamaguchi: "Effective Exchange Integrals for Open-shell Species by Density Functional Method." Chem.Phys.Lett.231. 25-33 (1994)

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      1996 Final Research Report Summary
  • [Publications] K.Mashima, Y.Nakayama, H.Fukumoto, N.Kanehisa, Y.Kai, A.Nakamura: "Formation of Lanthanoid(II) and Lanthanoid(III) Thiolate Complexes Derived from Metals and Organic Disulfides : Crystal Structures of [{Ln(SAr)(μ-SAr)(thf)_3}_2](Ln=Sm,Eu),[Sm(SAr)_3(py)_2(thf)]and[Yb(SAr)_3(py)_3](Ar=2,4,6-Triisopropylphenyl ; py=Pyridine)." J.Chem.Soc.,Chem.Commun.1994. 2523-2524 (1994)

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      「研究成果報告書概要(和文)」より
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      1996 Final Research Report Summary
  • [Publications] M.Nakano, K.Yamaguchi, T.Fueno: "Coupled Hartree-Fock Calculations of the Third-order Hyperpolarizabilities for Mixed and Segregated Charge-transfer Clusters." Nonlinear Optics. 6. 289-296 (1994)

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      1996 Final Research Report Summary
  • [Publications] M.Nakano, K.Yamaguchi: "Numerical Liouville Approach : A Calculation Method for Nonlinear Optical Susceptibilities of N-state Systems." Phys.Rev.50. 2989-3004 (1994)

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      「研究成果報告書概要(和文)」より
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      1996 Final Research Report Summary
  • [Publications] K.Mashima, A.Nakamura: "Living Polymerization of Ethylene by Organometallic Complexes" 触媒. 1994. 572-579 (1994)

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      1996 Final Research Report Summary
  • [Publications] H.Oku, N.Ueyama, A.Nakamura, Y.Kai, N.Kanehisa: "The Stablization of Dioxomolybdenum(VI) Dithiolene Complex by the Electron Withdrawing Substituent on the Dithiolene Ligand : Comparison of Reactivities of Monooxomolybdenum(IV) Complex with R_2S_2C_2(R=-CN and -COOMe) Ligands as Models of Molybdenum Oxidoreductases." Chem.Lett.1994. 607-610 (1994)

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      1996 Final Research Report Summary
  • [Publications] K.Mashima, H.Sugiyama, N.Kanehisa, Y.Kai, H.Yasuda, A.Nakamura: "Diene Complexes of Calcium and Strontium : First Crystal Structures of Calcium- and Strontium-Diene Complexes,M(2,3-dimethyl-1,4-diphenyl-1,3-butadiene)(THF)_4(M=Ca and Sr)." J.Am.Chem.Soc.116. 6977-6978 (1994)

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      1996 Final Research Report Summary
  • [Publications] T.Tsunekawa, K.Yamaguchi: "Theoretical Studies on Hydrogen Bonding Interactions and Electronic Polarizations and Clustero3,9-Dinitro-5a,-6,11a,12-tetrahydro[1,4]benzoxazino[3,2-b][1,4]benzoxazine." J.Phys.Chem.98. 785-791 (1994)

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      1996 Final Research Report Summary
  • [Publications] K.Mashima, Y.Nakayama, A.Nakamura, N.Kanehisa, Y.Kai, H.Takaya: "A New Convenient Preparation of Monocyclooctatetraenyl-lanthanide Complexes from Metallic Lanthanides and Oxidants." J.Organomet.Chem.473. 85-91 (1994)

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      1996 Final Research Report Summary
  • [Publications] M.Fujiwara, S.Takamizawa, W.Mori, K.Yamaguchi: "Molecular Design and Synthsis of Ferro-and Ferri Magnetic Inorganic Polymers and Complexes with Tetrathiolate Ligands." Mol.Cyst.Liq.Cryst.279. 1-8 (1995)

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      1996 Final Research Report Summary
  • [Publications] T.Daniel, H.Nagao, K.Tanaka, A.Nakamura: "Norbornadiene(bipyridy) molybdenum(II) Complexes Synthesis,Structure and Reactivity of [Mo(CO)(C_7H_8)(C_<10>H_6R_2N_2)X_2](X=I,Br)." Chem.Ber.128. 1007-1013 (1995)

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      1996 Final Research Report Summary
  • [Publications] T.Daniel, N.Suzuki, K.Tanaka, A.Nakamura: "Fluxional Behavior of Tert-butyl-substituted 2,2' : 6"2"-Terpyridylmolybdenum(0) and 2,2'-Bipyridylmolybdenum(II) Complexes : Enhanced Solubility and Ease in NMR Study Caused by the Tert-butyl Group." J.Organomet.Chem.505. 109-117 (1995)

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      1996 Final Research Report Summary
  • [Publications] W.Mori, K.Yamaguchi: "Spin Glass Behavior of Synthetic Atacamite Cu_2Cl(OH)_3." Mol.Cryst.Liq.Cryst.274. 113-118 (1995)

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      1996 Final Research Report Summary
  • [Publications] T.Kawakami, S.Yamanaka, H.Nagao, W.Mori, M.Kamachi, K.Yamaguchi: "Theoretical approaches to molecular magnetism II : No-overlap and orientation principlesforferromagneticinteractions." Mol.Cryst.Liq.Cryst.272. 117- (1995)

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      1996 Final Research Report Summary
  • [Publications] S.Takeda, T.Inabe, T.Mitani, Y.Maruyama, K.Yamaguchi: "ESR Study on the Charge Transfer Complexes of N-Salicylideneanilines containing NHO Hydrogen bond as a Dynamic Function." Synt.Metals. 70. 1211-1212 (1995)

    • Description
      「研究成果報告書概要(和文)」より
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      1996 Final Research Report Summary
  • [Publications] S.Takeda, T.Inabe, T.Mitani, Y.Maruyama, K.Yamaguchi: "ESR Study on the Charge Transfer Complexes of N-Salicylideneanilines containing NHO Hydrogen bond as a Dynamic Function." Synt.Metals. 70. 1211-1212 (1995)

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      1996 Final Research Report Summary
  • [Publications] A.Nakamura: "Organometallicp-Conjugated Systems." Bull.Chem.Soc.Jpn.68. 1515-1521 (1995)

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      1996 Final Research Report Summary
  • [Publications] M.Nakano, S.Yamada, K.Yamaguchi: "Theoretical Studies on Hyperpolarizabilitiues of Nitroxide SpeciesI." Synt.Metals. 71. 1691-1692 (1995)

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      1996 Final Research Report Summary
  • [Publications] Y.Matuzaki, M.Nakano, K.Yamaguchi, K.Tanaka, T.Yamabe: "Secondhyperpolarizabilies of p-conjugatedsilicon-ringpolymers." Synt.Metals. 71. 1737-1738 (1995)

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      1996 Final Research Report Summary
  • [Publications] W.Y.Sun, T.Ueno, N.Ueyama, A.Nakamura: "^<19>FNMR Investigations of Cobalt(II) Complexes with Cysteine-Containing Peptide Ligands." Magn.Reson.Chem.33. 174-177 (1995)

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      1996 Final Research Report Summary
  • [Publications] M.Fujiwara, W.Mori, K.Yamaguchi: "Iron-schiff Base Magnetic Polymers.Synthesis and Characterization." Mol.Cryst.Liq.Cryst.274. 175-178 (1995)

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      1996 Final Research Report Summary
  • [Publications] K.Mashima, Y.Tanaka, A.Nakamura: "Synthesis,Characterization,and Reaction of Ethylene Complexesbearing Ta(η^5-C_5R_5)(η^4-buta-1,3-diene) Fragments (R=H,Me)." J.Organomet.Chem.502. 19-23 (1995)

    • Description
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      1996 Final Research Report Summary
  • [Publications] S.Yamanaka, T.Kawakami, H.Nagao, K.Yamaguchi: "Theoretical studies of spin populations on nitronylnitroxide,phenylnitronylnitroxide and p-NPNN." Mol.Cryst.Liq.Cryst.271. 19- (1995)

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      1996 Final Research Report Summary
  • [Publications] M.Kitazawa, M.Takahashi, T.Wada, H.Sasabe, M.Nakano, K.Yamaguchi: "Theoretical Evaluation of Hyperpolarizability of L-2-pyrrolidone-5-carboxylic Acid (L-PCA)." Bull.Chem.Soc.Jpn.68. 2215-2224 (1995)

    • Description
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      1996 Final Research Report Summary
  • [Publications] S.Yamanaka, T.Kawakami, M.Okumura, K.Yamaguchi: "CASSCF and CASPT2 calculations of hole-doped polycarbenes.Possibilities of organic ferromagneticconductorsandmetals." Chem.Phys.Lett.233. 257- (1995)

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      1996 Final Research Report Summary
  • [Publications] A.Nakamura, K.Mashima: "Recent Progress in the Chemistry of 1,3-Diene Complexes of Niobium and Tantalum." J.Organomet.Chem.500. 261-267 (1995)

    • Description
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      1996 Final Research Report Summary
  • [Publications] K.Mashima, T.Shibahara, Y.Nakayama, A.Nakamura: "Synthesis and Characterization of Cationic Pyridine-2-thiolate Complexes of Lanthanoid(III) : Crystal Structures of Pentagonal Bipyramidal [Ln(SC_5H_4N)_2(hmpa)_3]I(Ln=Sm,Yb ; hmpa=hexamethylphosphoric triamide)." J.Organomet.Chem.501. 263-269 (1995)

    • Description
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      1996 Final Research Report Summary
  • [Publications] K.Mashima, S.Fujikawa, Y.Tanaka, Y.Urata, T.Oshiki, E.Tanaka, A.Nakamura: "Living Polymerization of Ethylene Catalyzed by Diene Complexes of Niobium and Tantalum,M(η^5-C_5Me_5)(η^4-diene)X_2 and M(η^5-C_5Me_5)(η^4-diene)_2(M=Nb and Ta) in the Presence of Methylaluminoxane." Organometallics. 14. 2633-2640 (1995)

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      1996 Final Research Report Summary
  • [Publications] S.Yamanaka, T.Kawakami, S.Yamada, H.Nagao, M.Nakano, K.Yamaguchi: "Theoretical studies of spin density populations on nitroxide and nitronylnitroxide derivatives." Chem.Phys.Lett.240. 268-277 (1995)

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      1996 Final Research Report Summary
  • [Publications] R.Hahn, A.Nakamura, K.Tanaka, Y.Nakayama: "Synthesis and Molecular Structure of a Pentacoordinated Nickel(II) Complex with a Mixed S_2N_3 Coordination Sphere." Chem.Phys.Lett.240. 268-277 (1995)

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      1996 Final Research Report Summary
  • [Publications] M.Nakano, K.Yamaguchi, Y.Matuzaki, K.Tanaka, T.Yamabe: "Numerical Liouville Approach : Formulation of Third-order Nonlinear Optical Susceptibilities." J.Chem.Phys.102. 2986-2995 (1995)

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      1996 Final Research Report Summary
  • [Publications] M.Nakano, K.Yamaguchi, Y.Matuzaki, K.Tanaka, T.Yamabe: "Numerical Liouville Approach : Three-type Analysis of Virtual Excitation Processes of Third-order Nonlinear Optical Spectrain Third-harmonic Generation." J.Chem.Phys.102. 2996-3004 (1995)

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      1996 Final Research Report Summary
  • [Publications] H.Zaima, N.Ueyama, H.Adachi, A.Nakamura: "^1H-,^<13>C-,and ^<113>Cd-NMR Study of the Cd(II) Complex of a Blocked Peptide,Z-Cys-Ala-Pro-His-OMe,in Organic Solvents." Biopolymers. 35. 319-329 (1995)

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      1996 Final Research Report Summary
  • [Publications] M.Nakano, K.Yamaguchi: "Numerical Liouville Approach : Intensity Dependent Transient Linear and Nonlinear Optical Susceptibilities." Chem.Phys.Lett.234. 323-323 (1995)

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      1996 Final Research Report Summary
  • [Publications] H.Oku, N.Ueyama, A.Nakamura: "Thiolato-Activated Oxo-Metal Bond Features in Molybdenum and Tungsten Oxidoreductase Models As Revealed by Raman Spectroscopy." Inorg.Chem.34. 3667-3676 (1995)

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      1996 Final Research Report Summary
  • [Publications] S.Nagatomo, S.Takeda, K.Yamaguchi, M.Iwata, Y.Ishibashi: "New Cation Duffusing Phase of (CH_3NH_3)_5Bi_2Cl_<11>." J.Phys.Soc.Jpn.64. 391-394 (1995)

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  • [Publications] M.Nakano, K.Yamaguchi, Y.Matuzaki, K.Tanaka, T.Yamabe: "Numerical Liouville Approach : Third-order Nonlinear Optical Susceptibilities in THG,EFISH and DFWM." Chem.Phys.Lett.233. 411-419 (1995)

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      1996 Final Research Report Summary
  • [Publications] T.Kawakami, S.Yamanaka, W.Mori, K.Yamaguchi, A.Kajiwara, M.Kamachi: "No-overlap and orientation principle for ferromagneticinteractions between nitroxide groups." Chem.Phys.Lett.235. 414- (1995)

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      1996 Final Research Report Summary
  • [Publications] M.Nakano, I.Shigemoto, S.Yamada, K.Yamaguchi: "Size-consistent Approach and Density Analysis of Hyperpolarizability : Second Hyperpolarizabilities of Polymeric Systems with and without Defects." J.Chem.Phys.103. 4175-4191 (1995)

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      1996 Final Research Report Summary
  • [Publications] N.Ueyama, T.-A.Okamura, Y.Yamada, A.Nakamura: "Crystal and Solution Structure of Novel Bulky Bis[2,6-di(acylamino)phenyl] Disulfides.Absence of Covalent NH・・・S Hydrogen Bond between Amide NH and Neighboring Disulfide in Bis[2,6-di(pivaloylamino)phenyl] Disulfide." J.Org.Chem.60. 4893-4899 (1995)

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      1996 Final Research Report Summary
  • [Publications] K.Mashima, Y.Tanaka, A.Nakamura: "Synthesis,Characterization,and Reactionsofa Mononuclear Tantalum-benzyne Complex,Ta(η^5-C_5Me_5)(η^4-C_4H_6)(η^2-C_6H_4)." Organometallics. 14. 5642-5651 (1995)

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      1996 Final Research Report Summary
  • [Publications] H.Oku, N.Ueyama, A.Nakamura: "Electronic and Steric Effect of Bulky Triphenyl Substituent in the Monooxobenzenedithiolatomolybdenum(V) Complex and the Tungsten Analogas Models" Chem.Lett.1995. 621-622 (1995)

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      1996 Final Research Report Summary
  • [Publications] D.Yamaki, S.Yamada, G.Maruta, T.Kawakami, W.Mori, K.Yamaguchi: "Theoretical Calculation of Effective Exchange Integrals for One- and Two- Dimensional Poly(phynylenemethylene) Systems.Possibilities of Organic Ferro- and Ferri- Magnetic Solids." Mol.Cryst.Liq.Cryst.279. 9-18 (1995)

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      1996 Final Research Report Summary
  • [Publications] H.Oku, N.Ueyama, A.Nakamura: "Benzoin Oxidation at Extreme Temperature by Bis(1,2-benzenedithiolato)dioxotungsteate(VI) Complex : A Model Study for Hyperthermostable Tungsten Oxidoreductases" Chem.Lett.1996. 1131-1132 (1996)

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      1996 Final Research Report Summary
  • [Publications] M.Kondo, H.Oku, N.Ueyama, A.Nakamura: "Synthesis and Properties of a Nitridomolybdenum(VI) Complex Having Benzenedithiolate Ligands.Effect of the Thiolate on the Activation of the Nitrido Ligand." Bull.Chem.Soc.Jpn.69. 117-123 (1996)

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      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] Y.Matsuzaki, M.Nakano, K.Yamaguchi, K.Tanaka, T.Yamabe: "Third-order opticalnonlinearlity in new p-conjugated polymers : polydiethynylsilane and polysilole." Chem.Phys.Lett.263. 119-125 (1996)

    • Description
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  • [Publications] N.Ueyama, N.Nishikawa, Y.Yamada, T.A.Okamura, A.Nakamura: "Cytochrome P-450 Model(Prophinato)(thiolato)iron(III) Complexes with Single and Double NH・・・S Hydrogen Bonds at the Thiolate Site." J.Am.Chem.Soc.118. 12826-12827 (1996)

    • Description
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  • [Publications] T.Kawakami, S.Takeda, W.Mori, K.Yamaguchi: "Theoretical studies of effective exchange interactions between nitro oxides viahydrogen atoms." Chem.Phys.Lett.261. 129-137 (1996)

    • Description
      「研究成果報告書概要(和文)」より
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  • [Publications] N.Ueyama, Y.Yamada, J.Takeda, T.-A.Okamura, W.Mori, A.Nakamura: "Magneticproperties of intramolecularly hydrogen-bonded car boxylatecopper(II)dimer complexes." J.Chem.Soc.,Chem.Commun.1996. 1377-1378 (1996)

    • Description
      「研究成果報告書概要(和文)」より
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  • [Publications] S.Takeda, F.Kondoh, N.Nakayama, K.Yamaguchi: "Proton Tunneling and Local Symmetry of the Hydrogen Bond in Rb_3H(SO_4)_2" Physica B. 226. 157-160 (1996)

    • Description
      「研究成果報告書概要(和文)」より
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  • [Publications] S.Yamada, M.Nakano, I.Shigemoto, K.Yamaguchi: "Static second hyperpolarizabilitiesg of nitroxideradical and formaldehyde : evaluation of spatial contributions to g by a hyperpolarizability density analysis." Chem.Phys.Lett.254. 158-164 (1996)

    • Description
      「研究成果報告書概要(和文)」より
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  • [Publications] I.Shigemoto, M.Nakano, S.Yamada, S.Kiribayashi, K.Yamaguchi: "Theoretical studies on nonlinear optical properties of organometallic conjugated systems I.Static third-order hyperpolarizabilities of first-transition-metal and metalmethylene cations." Mol.Cryst.Liq.Cryst. 286. 159-164 (1996)

    • Description
      「研究成果報告書概要(和文)」より
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  • [Publications] K.Ueda, S.Takamizawa, W.Mori, K.Yamaguchi: "Magnetic Properties of Basis Copper(II) Formates" Mol.Cryst.Liq.Cryst. 286. 17-22 (1996)

    • Description
      「研究成果報告書概要(和文)」より
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  • [Publications] H.Nagao, H.Kawabe, T.Kawakami, M.Okumura, W.Mori, K.Nishikawa, K.Yamaguchi: "Calculation of magnetization by path integral method I." Mol.Cryst.Liq.Cryst.286. 171-176 (1996)

    • Description
      「研究成果報告書概要(和文)」より
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  • [Publications] S.Takeda, H.Kataoka, S.Ikeda, K.Yamaguchi: "Rotational Tunneling of Methyl Groups of Sc(CH_3COO)_3 and Sc(CD_3COO)_3." Physica B. 226. 174-177 (1996)

    • Description
      「研究成果報告書概要(和文)」より
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  • [Publications] T.Kawakami, H.Nagao, K.Ueda, W.Mori, K.Yamaguchi: "Calculation of magnetization by path integral method II." Mol.Cryst.Liq.Cryst.286. 177-184 (1996)

    • Description
      「研究成果報告書概要(和文)」より
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  • [Publications] T.Nogami, T.Ishida, M.Yasui, F.Iwasaki, N.Takeda, M.Ishikawa, T.Kawakami, K.Yamaguchi: "Proposed Mechanism of Ferromagnetic Interaction of Organic Ferromagnets 4-(Arylmethyleneamino)-2,2,6,6-tetramethylpiperidin-1-oxylsand Related Compounds." Bull.Chem.Soc.Jpn.69. 1841-1848 (1996)

    • Description
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  • [Publications] M.Fujiwara, M.Nishino, S.Takamizawa, W.Mori, K.Yamaguchi: "Abinitio MO calculations of superexchange integrals for transition-metal fluorides : MFM3+(M=Cu(ii),Ni(ii) and Mn(ii)).Active control of the magnetic states." Mol.Cryst.Liq.Cryst.286. 185-192 (1996)

    • Description
      「研究成果報告書概要(和文)」より
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  • [Publications] G.Maruta, D.Yamaki, W.Mori, K.Yamaguchi, H.Nishide: "Theoretical Study of Effective Exchange Integrals for Ferromagentic Phenylenevinylene Polymers with Nitroxides.Possibilities of Organic Ferro- or Ferri-magnetic Solids." Mol.Cryst.Liq.Cryst.279. 19-28 (1996)

    • Description
      「研究成果報告書概要(和文)」より
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  • [Publications] M.Nishino, M.Tanaka, S.Takeda, K.Mashima, W.Mori, K.Tani, A.Nakamura, K.Yamaguchi.: "Theoretical studies of direct exchange couplings between transition metalionsI.naked binuclear chromium(II) and molybdenum(II) systems." Mol.Cryst.Liq.Cryst.286. 193-200 (1996)

    • Description
      「研究成果報告書概要(和文)」より
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  • [Publications] N.Ueyama, K.Taniuchi T.-A.Okamura, A.Nakamura, H.Maeda, S.Emura: "Effect of the NH・・・S Hydrogen Bond on the Nature of Hg-S Bonding in Bis〔2-(acylamino)-benzenethiolato〕mercury(II) and Bis〔2,6-bis(acylamino)benzenethiolato〕mercury(II) Complexes." Inorg.Chem.35. 1945-1951 (1996)

    • Description
      「研究成果報告書概要(和文)」より
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  • [Publications] M.Nishino, M.Tanaka, S.Takeda, K.Mashima, W.Mori, K.Tani, A.Nakamura, K.Yamaguchi: "Theoretical Studies of Direct Exchange Couplings between Transition Metal Ions-II.Tetranuclear Transition Metal Systems." Mol.Cryst.Liq.Cryse.286. 201-210 (1996)

    • Description
      「研究成果報告書概要(和文)」より
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  • [Publications] T.Daniel, H.Nagao, H.Nakajima, K., A.Nakamura: "Seven-coordinated 2,2' : 6'2"-Terpyridinemolybdenum(II) Complexes Synthesis Structure and Reactivity of〔Mo(CO)(C_7H_8)(4,4',4"-R_3terpy)X〕X'(R=H or tBu)" J.Organomet.Chem.509. 225-234 (1996)

    • Description
      「研究成果報告書概要(和文)」より
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  • [Publications] K.Mashima, Y.Tanaka, M.Kaidzu, A.Nakamura: "cis-iso-Specific Polymerization of Norbornenes by a Unique Combination of Cp' and 1,3-Butadiene Ligands on Tantalum : Crystal Structures of Cp'(η^4-C_4H_6)Ta(CH_2Ph)_2 and Cp'(η^4-C_4H_6)Ta(=CHPh)(PMe_3)." Organometallics. 15. 2431-2433 (1996)

    • Description
      「研究成果報告書概要(和文)」より
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  • [Publications] M.Nakano, S.Yamada, I.Shigemoto, K.Yamaguchi: "Dynamic (hyper)polarizability density analysis based on virtual excitation processes : Visuallization of dynamic electron fluctuatability of systems under time-dependent external electric fields." Chem.Phys.Lett.250. 247-254 (1996)

    • Description
      「研究成果報告書概要(和文)」より
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  • [Publications] Y.Yoshioka, S.Yamada, T.Kawakami, M, Nishino, K.Yamaguchi, I.Saito: "Ab Initio Molecular Orbital Studies of Singlet Oxygen Reactions of Olefins,Enol Ethers,and Enamines." Bull.Chem.Soc.Jpn.69. 2638-2699 (1996)

    • Description
      「研究成果報告書概要(和文)」より
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  • [Publications] Y.Yoshioka, S.Yamanaka, S.Yamada, T.Kawakami, M.Nishino, K.Yamaguchi, A.Nishinaga: "Theoretical and Experimental Studies of a Charge-Transfer Mechanism for Biomimetic Oxygenations of Phenol and Indol Derivatives." Bull.Chem.Soc.Jpn.69. 2701-2722 (1996)

    • Description
      「研究成果報告書概要(和文)」より
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  • [Publications] T.Kawakami, A.oda, W.Mori, K.Yamaguchi, K.Inoue, H.Iwamura: "Theoretical Studies of the Ferromagnetic Intermolecular Interaction of p-Carboxylate Phenyl Nitronyl Nitroxide." Mol.Cryst.Liq.Cryst.279. 29-38 (1996)

    • Description
      「研究成果報告書概要(和文)」より
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  • [Publications] M.Nakano, Y.Matsuzaki, H.Nagao, S.Yamada, I.Shigemoto, K.Yamaguchi: "Damping wave packets approach : a caluculation method of intensity-dependent nonlinear optical susceptibilities including effects of nuclear motions at finite temperatures." Chem.Phys.Lett.258. 307-315 (1996)

    • Description
      「研究成果報告書概要(和文)」より
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  • [Publications] H.Oku, N.Ueyama, A.Nakamura: "A Comparison between the Structures of Tungstopterin Cofactor in Tungsten Oxidoreductase and a Model Complex,cis-Dioxobis(2,3-naphthalenedithiolate)tungsten(VI) in Their O-Atom Transfer Reaction." Chem.Lett.1996. 31-32 (1996)

    • Description
      「研究成果報告書概要(和文)」より
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  • [Publications] H.Oku, N.Ueyama, A.Nakamura: "Stabilization of Oxo-Metal Bonding by the π-Conjugated System in Dithiolate Ligands : cis-Dioxotungsten(VI) Bis(naphthalenedithiolato) and the Related Complexes as Models for Tungsten Oxidoreductases" Bull.Chem.Soc.Jpn.69. 3139-3150 (1996)

    • Description
      「研究成果報告書概要(和文)」より
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  • [Publications] Y.Yoshioka, D.Yamaki, G.Maruta, T.Tsunesada, K.Takada, T.Noro, K.Yamaguchi: "MO-Theoretical Description of Electronic Structures of Tricentric Bis-desmiphiles in the Ground and Excited States." Bull.Chem.Soc.Jpn. 69. 3395-3415 (1996)

    • Description
      「研究成果報告書概要(和文)」より
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  • [Publications] T.Ueno, N.Ueyama, A.Nakamura: "Redox Behavior of 4Fe-4S Ferredoxin Model Arenethiolate Complexes Involving Specific NHS Hydrogen Bonds Assisted by a Neighbouring Phenyl Group." J.Chem.Soc.,Dalton Trans.1996. 3859-3863 (1996)

    • Description
      「研究成果報告書概要(和文)」より
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  • [Publications] M.Nakano, S.Yamada, I.Shigemoto, K.Yamaguchi: "Theoretical study on the geometry dependence of the second hyperpolarizability of allyl cation based on a numerical Liouvile three-type analysis." Chem.Phys.Lett.251. 391-396 (1996)

    • Description
      「研究成果報告書概要(和文)」より
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  • [Publications] H.Nakano, A.Nakamura, K.Mashima: "Linear Trinuclear Pt・・・Mo-Mo Complexes [Mo_2PtX_2(pyphos)_2(O_2CR)_2]_2(X=Cl,Br,I,R=CH_3,C(CH_3)_3,pyphos=6-diphenylphosphino-2-pyridonate) with an Axial Interaction between the Quadruply Bonded Mo_2 Moiety and the Platinum Atom." Inorg.Chem.35. 4007-4012 (1996)

    • Description
      「研究成果報告書概要(和文)」より
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  • [Publications] K.Mashima, M.Tanaka, K.Tani, H.Nakano, A.Nakamura: "Dinuclear Pd(I)-Pd(I) and Pt(II)・・・Pt(II) Complexes Supported by Tridentate Pyphos Ligands(pyphos=6-(diphenylphosphino)-2-pyridonate)." Inorg.Chem.35. 5244-5248 (1996)

    • Description
      「研究成果報告書概要(和文)」より
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      1996 Final Research Report Summary
  • [Publications] N.Ueyama, H.Oku, M.Kondo, T.-A.Okamura, N.Yoshinaga, A.Nakamura: "Trans Influence of Oxo and Dithiolene Coordination in Oxidized Models of Molybdenum Oxidoredactase : Synthesis,Structures,and Properties of Q_2[MoVIO_2(1,2-benzenedithiolato)_2](Q=NEt_4,PPh_4) and Related Complexes." Inorg.Chem.35. 643-650 (1996)

    • Description
      「研究成果報告書概要(和文)」より
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  • [Publications] N.Ueyama, Y.Yamada, T.-A.Okamura, S.Kimura, A.Nakamura: "Srtucture and Properties of [Fe_4S_4{2,6-bis(acylamino)-benzenethiolato-S}_4]^<2-> and [Fe_2S_2{2,6-bis(acylamino)-benzenethiolato-S}_4]^<2-> : Protection of the Fe-S Bond by Double NH・・・S Hydrogen Bonds." Inorg.Chem.35. 6473-6484 (1996)

    • Description
      「研究成果報告書概要(和文)」より
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      1996 Final Research Report Summary
  • [Publications] M.Nakano, S.Kiribayashi, S.Yamada, I.Shigemoto, K.Yamaguchi: "Theoretical study of the second hyperpolarizabilities of three charged states of pentalene.A consideration of the structure-property correlation for the sensitive second hyperpolarizability." Chem.Phys.Lett.262. 66-73 (1996)

    • Description
      「研究成果報告書概要(和文)」より
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      1996 Final Research Report Summary
  • [Publications] Y.Nakayama, H.Saito, and A.Nakamura: "Selective Synthesis of Tungsten(VI) Mono(catecholato) Complexes Using 1,2-Bis(trimethylsiloxy)benzenes : Molecular Structure of WCl_4(O_2C_6H_4)." Chem.Lett.1996. 691-692 (1996)

    • Description
      「研究成果報告書概要(和文)」より
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  • [Publications] M.Nishino, S.Yamanaka, Y.Yoshioka, K.Yamaguchi: "Theoretical Approaches to Direct Exchange Coupling between Divalent Chromium Ions in Naked Dimer,Tetramer and Clusters" J.Phys.Chem.101. 705-712 (1996)

    • Description
      「研究成果報告書概要(和文)」より
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      1996 Final Research Report Summary
  • [Publications] H.Nagao, M.Nakano, S.Yamanaka, Y.Shigeta, S.Yamada, D.Yamaki, I.Shigemoto, S.Kiribayashi, K.Yamaguchi: "Many-Electron-Wavepackets Method." Int.J.Quantum Chem. 60. 79-89 (1996)

    • Description
      「研究成果報告書概要(和文)」より
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      1996 Final Research Report Summary
  • [Publications] H.Takahashi, T.Kasai, K.Yamaguchi: "Wave Packet Simulation on the Cage Effect in the Full Scarrering : CF3H+Ar(3P)-CF3^*+H+Ar" Chem.Lett.1996. 793-794 (1996)

    • Description
      「研究成果報告書概要(和文)」より
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      1996 Final Research Report Summary
  • [Publications] Y.Nakayama, T.Shibahara, H.Fukumoto, A.Nakamura, K.Mashima: "Syndiospecific Polymerization of Methyl Methacrylate Catalyzed by Lanthanoid Thiolate Complexes Bearing Hexamethylphosphoric Triamide Ligand." Macromolecules. 29. 8014-8016 (1996)

    • Description
      「研究成果報告書概要(和文)」より
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      1996 Final Research Report Summary
  • [Publications] K.Hatanaka, Y.Morita, T.Ohba, K.Yamaguchi, T.Takui, M.Kinoshita, K.Nakasuji: "Detection of New Neutral Radicals : 2-Phenyl-and 2-p-Methoxyphenyl-3-oxophenalenoxyl Radicals." Tetrahedron Lett. 37. 873-876 (1996)

    • Description
      「研究成果報告書概要(和文)」より
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  • [Publications] K.Mashima, H.Nakano, A.Nakamura: "Reductive Formation of Straight Linear Metal-Metal Bonded Tetranuclear Complexes X-M-Mo-Mo-M-X from X_2M・・・Mo-Mo・・・MX_2 Supported by Four Tridentate 6-Diphenylphosphino-2-pyridonate Ligands (M=Pd,Pt ; X=Cl,Br,I)." J.Am.Chem.Soc.118. 9083-9095 (1996)

    • Description
      「研究成果報告書概要(和文)」より
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  • [Publications] K.Mashima, Y.Nakayama, T.Shibahara, H.Fukumoto, A.Nakamura,: "Synthesis of Arenethiolate Complexes of Divalent and Trivalent Lanthanides from Metallic Lanthanides and Diaryl Disulfides : Crystal Structures of [{Yb(hmpa)_3}_2(μ-SPh)_3][SPh] and Ln(SPh)_3(hmpa)_3(Ln=Sm,Yb ; hmpa=hexamethylphosphoric triamide)" Inorg.Chem.35. 93-99 (1996)

    • Description
      「研究成果報告書概要(和文)」より
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      1996 Final Research Report Summary
  • [Publications] M.Nakano, H.Nagao, K.Yamaguchi: "Many-electron Hyperpolarizability Density Analysis : Application to Dissociation Process of One-Dimensional H2" Phys.Rev.A. 55. 1503-1513 (1997)

    • Description
      「研究成果報告書概要(和文)」より
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      1996 Final Research Report Summary
  • [Publications] S.Takeda, H.Fukumoto, K.Mashima, G.Maruta, K.Yamaguchi, A.Nakamura: "Thermochromism and Dynamics of Organometallis Conjugated Systems ^+Zirconocene Complex of 1,4-Diphenyl-1,3-butadiene" J.Phys.Chem.101. 278-284 (1997)

    • Description
      「研究成果報告書概要(和文)」より
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      1996 Final Research Report Summary
  • [Publications] H.Takahashi, T.Kasai, K.Yamaguchi: "Wavepacket Dynamics in the Full Reaction of CF3H+Ar(3P)-CF3^*+H+Ar : Quantum Interference for the H-end Orientation" Chem.Phys.Lett.264. 44-50 (1997)

    • Description
      「研究成果報告書概要(和文)」より
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      1996 Final Research Report Summary
  • [Publications] H.Nagao, K.Kawabe, K.Kodama, Y.Shigeta, K.Nishikawa, M.Nakano, K.Yamaguchi: "Nonadiabatic Treatment of Molecular System by the Wavepacket Method" Int.J.Quant.Chem.60. 49-58 (1997)

    • Description
      「研究成果報告書概要(和文)」より
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      1996 Final Research Report Summary
  • [Publications] T.Kawakami, A.Oda, S.Takeda, W.Mori, T.Ishida, M.Yasui, F.Iwasaki, T.Nogami, K.Yamaguchi: "Magnetic Interaction viab-Hydrogen Atomsin TEMPO Derivatives." Mol.Cryst.Liq.Cryst.(in press). (1997)

    • Description
      「研究成果報告書概要(和文)」より
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  • [Publications] A.Nakamura and N.Ueyama: "Iron-Sulfur Models of Protein Active Sites in Encyclopedia of Inorganio Chemistry" R.B.King,John Wiley, 14 (1994)

    • Description
      「研究成果報告書概要(和文)」より
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  • [Publications] 中村 晃: "有機金属化学辞典 遷移金属 5.ジルコニウム、ハフニウム" 朝倉書店, 54 (1995)

    • Description
      「研究成果報告書概要(和文)」より
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  • [Publications] N.Ueyama, T.Okamura, A.Nakamura: ""New Macromolecular Architecture and Functions" Chemical Functions of NH・・・S Hydrogen Bonds in Model Complexes of Iron-Sulfur Metalloproteins." Springer-Velag, 11 (1996)

    • Description
      「研究成果報告書概要(和文)」より
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  • [Publications] M.Nakano, K.Yamaguchi: "Theoretical Studies for Third-order Hyperpolarizabilities of Alternant and Condenced-ring Conjugated Systems I." Mol.Cryst.Liq.Cryst.255. 139-148 (1994)

    • Description
      「研究成果報告書概要(欧文)」より
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  • [Publications] K.Mashima, H.Sugiyama, A.Nakamura: "Diene Complex of Lanthanum : The Crystal Structure of a Diene-bridged Dilanthanum Complex, [LaI_2 (thf)_3 (mu-eta^4 : eta^4 : -PhCH=CHCH=CHPh) LaI_2 (thf)_3]." J.Chem.Soc., Chem.Commun.1994. 1581-1582 (1994)

    • Description
      「研究成果報告書概要(欧文)」より
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  • [Publications] K.Mashima, S.Fujikawa, H.Urata, E.Tanaka, A.Nakamura: "Polythylene with Extremely Narrow Polydispersity Obtained from the New Catalyst Systems Nb (eta^5-C_5Me_5) (eta^4-diene) Cl_2-MAO and Nb (eta^5-C_5Me_5) (eta^4-diene)_2-MAO." J.Chem Soc., Chem.Commun.1994. 1623-1624 (1994)

    • Description
      「研究成果報告書概要(欧文)」より
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  • [Publications] N.Ueyama, M.Kondo, H.Oku, A.Nakamura: "Structure and Properties of (NEt_4)_2 [MoIVO (alpha, 2-toluenedithiolato)_2]." Bull.Chem.Soc.Jpn.67. 1840-1847 (1994)

    • Description
      「研究成果報告書概要(欧文)」より
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  • [Publications] S.Yamanaka, T.Kawamura, T.Noro K.Yamaguchi: "Heisenberg Model for Radical Reactions. Part 3. Direct Exchange Coupling between Transition Metal Ions and Triplet Methylene." J.Mol.Struct. (Theochem). 310. 185-196 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
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  • [Publications] S.Yamanaka, M.Okumura, M.Nakano, K.Yamaguchi: "EHF Theory of Chemical Reactions. Part 4. UNO CASSCF,UNO CASPT2 and R (U) HF Coupled-cluster (CC) Wavefunctions." J.Mol.Struct. (Theochem). 310. 205-218 (1994)

    • Description
      「研究成果報告書概要(欧文)」より
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      1996 Final Research Report Summary
  • [Publications] H.Oku, N.Ueyama, M.Kondo, A.Nakamura: "Oxygen Atom Transfer Systems in Which the (mu-Oxo) dimolybdenum (V) Complex Formation Does Not Occur : Syntheses, Structures, and Reactivities of Monooxomolybdenum (IV) Benzenedithiolato Complexes as Models of Molybdenum Oxidoreductases." Inorg.Chem.33. 209-216 (1994)

    • Description
      「研究成果報告書概要(欧文)」より
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  • [Publications] S.Yamanaka, T.Kawakami, H.Nagao, K.Yamaguchi: "Effective Exchange Integrals for Open-shell Species by Density Functional Method." Chem.Phys.Lett.231. 25-33 (1994)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] K.Mashima, Y.Nakayama, H.Fukumoto, N.Kanehisa, Y.Kai, A.Nakamura: "Formation of Lanthanoid (II) and Lanthanoid (III) Thiolate Complexes Derived from Meatls and Organic Disulfides : Crystal Structures of [{Ln (SAr) (mu-SAr) (thf)_3}_2] (Ln = Sm, Eu), [Sm (SAr)_3 (py)_2 (thf)] and [Yb (SAr)_3 (py)_3] (Ar = 2,4,6-triisopropylphenyl ; py = Pyridine)." J.Chem.Soc., Chem.Commun.1994. 2523-2524 (1994)

    • Description
      「研究成果報告書概要(欧文)」より
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      1996 Final Research Report Summary
  • [Publications] M.Nakano, K.Yamaguchi, T.Fueno: "Coupled Hartree-Fock Calculations of the Third-order Hyperpolarizabilities for Mixed and Segregated Charge-transfer Clusters." Nonlinear Optics. 6. 289-296 (1994)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] M.Nakano, K.Yamaguchi: "Numerical Liouville Approach : A Calculation Method for Nonlinear Optical Susceptibilities of N-state Systems." Phys.Rev.50. 2989-3004 (1994)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] K.Mashima, A.Nakamura: "Living Polymerization of Ethylene by Organometallic Complexes" Shokubai. 1994. 572-579 (1994)

    • Description
      「研究成果報告書概要(欧文)」より
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      1996 Final Research Report Summary
  • [Publications] H.Oku, N.Ueyama, A.Nakamura, Y.Kai, N.Kanehisa: "The Stablization of Dioxomolybdenum (VI) Dithiolene Complex by the Electron Withdrawing Substituent on the Dithiolene Ligand : Comparison of Reactivities of Monooxomolybdenum (IV) Complex with R_2S_2C_2 (R = -CN and -COOMe) Ligands as Models of Molybdenum Oxidoreductases." Chem.Lett.1994. 607-610 (1994)

    • Description
      「研究成果報告書概要(欧文)」より
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      1996 Final Research Report Summary
  • [Publications] K.Mashima, H.Sugiyama, N.Kanehisa, Y.Kai, H.Yasuda, A.Nakamura: "Diene Complexes of Calcium and Strontium : First Crystal Structures of Calcium-and Strontium-Diene Complexes, M (2,3-dimethyl-1,4-diphenyl-1,3-butadiene) (THF)_4 (M=Ca and Sr)." J.Am.Chem.Soc.116. 6977-6978 (1994)

    • Description
      「研究成果報告書概要(欧文)」より
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      1996 Final Research Report Summary
  • [Publications] T.Tsunekawa, K.Yamaguchi: "Theoretical Studies on Hydrogen Bonding Interactions and Electronic Polarizations and Clusters of 3,9-Dinitro-5a, -6,11a, 12-tetrahydro [1,4] benzoxazino [3,2-b] [1,4] benzoxazine." J.Phys.Chem.98. 785-791 (1994)

    • Description
      「研究成果報告書概要(欧文)」より
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      1996 Final Research Report Summary
  • [Publications] K.Mashima, Y.Nakayama, A.Nakamura, N.Kanehisa, Y.Kai, H.Takava: "A New Convenient Preparation of Monocyclooctatetraenyl-lanthanide Complexes from Metallic Lanthanides and Oxidants." J.Organomet.Chem.473. 85-91 (1994)

    • Description
      「研究成果報告書概要(欧文)」より
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      1996 Final Research Report Summary
  • [Publications] M.Fujiwara, S.Takamizawa, W.Mori, K.Yamaguchi: "Molecular Design and Synthsis of Ferro-and Ferri Magnetic Inorganic Polymers and Complexes with Tetrathiolate Ligands." Mol.Cyst.Liq.Cryst.279. 1-8 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
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  • [Publications] T.Daniel, H.Nagao, K.Tanaka, A.Nakamura: "Norbornadiene (bipyridyl) molybdenum (II) Complexes Synthesis, Structure nd Reactivity of [Mo (CO) (C_7H_8) (C_<10>H_6R_2N_2) X_2] (X=I,Br)." Chem.Ber.128. 1007-1013 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
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  • [Publications] T.Daniel, N.Suzuki, K.Tanaka, A.Nakamura: "Fluxional Behavior of Tert-butyl-substituted 2,2' : 6"2"-Terpyridylmolybdenum (O) and 2,2'-Bipyridylmolybdenum (II) Complexes : Enhanced Solubility and Ease in NMR Study Caused by the Tert-butyl Group." J.Organomet.Chem.505. 109-117 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
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      1996 Final Research Report Summary
  • [Publications] W.Mori, K.Yamaguchi: "Spin Glass Behavior of Synthetic Atacamite Cu_2Cl (OH)_3." Mol.Cryst.Liq.Cryst.274. 113-118 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] T.Kawakami, S.Yamanaka, H.Nagao, W.Mori, M.Kamachi, K.Yamaguchi: "Theoretical approaches to molecular magnetism II : No-overlap and orientation principles for ferromagnetic interactions." Mol.Cryst.Liq.Cryst.272. 117 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
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      1996 Final Research Report Summary
  • [Publications] S.Takeda, T.Inabe, T.Mitani, Y.Maruyanma, K.Yamaguchi: "ESR Study on the Charge Transfer Complexes of N-Salicylideneanilines containing NHO Hydrogen bond as a Dynamic Function." Synt.Metals. 70. 1211-1212 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
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      1996 Final Research Report Summary
  • [Publications] S.Takeda, T.Inabe, T.Mitani, Y.Maruyanma, K.Yamaguchi: "ESR Study on the Charge Transfer Complexes of N-Salicylideneanilines containing NHO Hydrogen bond as a Dynamic Function." Synt.Metals. 70. 1211-1212 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
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      1996 Final Research Report Summary
  • [Publications] A.Nakamura: "Organometallicp-Conjugated Systems." Bull.Chem.Soc.Jpn.68. 1515-1521 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
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  • [Publications] M.Nakano, S.Yamada, K.Yamaguchi: "Theoretical Studies on Hyperpolarizabilitiues of Nitroxide Species I." Synt.Metals. 71. 1691-1692 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
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  • [Publications] Y.Matuzaki, M.Nakano, K.Yamaguchi, K.Tanaka, T.Yamabe: "Second hyperpolarizabilies of p-conjugated sillicon-ringpolymers." Synt.Metals. 71. 1737-1738 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
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      1996 Final Research Report Summary
  • [Publications] W.-Y.Sun, T.Ueno, N.Ueyama, A.Nakamura: "^<19>FNMR Investigations of Cobalt (II) Complexes with Cysteine-Containing Peptide Ligands." Magn.Reson.Chem.33. 174-177 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
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      1996 Final Research Report Summary
  • [Publications] M.Fujiwara, W.Mori, K.Yamaguchi: "Iron-schiffBase Magnetic Polymers. Synthesis and Characterization." Mol.Cryst.Liq.Cryst.274. 175-178 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] K.Mashima, Y.Tanaka, A.Nakamura: "Synthesis, Characterization, and Reaction of Ethylene Complexes bearing Ta (eta^5-C_5R_5) (eta^4-buta -1,3-diene) Fragments (R=H,Me)." J.Organomet.Chem.502. 19-23 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
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      1996 Final Research Report Summary
  • [Publications] S.Yamanaka, T.Kawakami, H.Nagao, K.Yamaguchi: "Theoretical studies of spin populations on nitronylnitroxide, phenyl nitronylnitroxide and p-NPNN." Mol.Cryst.Liq.Cryst.271. 19 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
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      1996 Final Research Report Summary
  • [Publications] M.Kitazawa, M.Takahashi, T.Wada, H.Sasabe, M.Nakano, K.Yamaguchi: "Theoretical Evaluation of Hyperpolarizability of L-2-pyrrolidone-5-carboxylic Acid (L-PCA)." Bull.Chem.Soc.Jpn.68. 2215-2224 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
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  • [Publications] S.Yamanaka, T.Kawakami, M.Okumura, K.Yamaguchi: "CASSCF AND CASPT2 calculations of hole-doped polycarbenes. Possibilities of organic ferromagnetic conductors and metals." Chem.Phys.Lett.233. 257 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
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      1996 Final Research Report Summary
  • [Publications] A.Nakamura, K.Mashima: "Recent Progress in the Chemistry of 1,3-Diene Complexes of Niobium and Tantalum." J.Organomet.Chem.500. 261-267 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
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      1996 Final Research Report Summary
  • [Publications] K.Mashima, T.Shibahara, Y.Nakayama, A.Nakamura: "Synthesis and Characterization of Cationic Pyridine-2-thiolate Complexes of Lanthanooid (III) : Crystal Structures of Pentagonal Bipyramidal [Ln (SC_5H_4N)_2 (hmpa)_3] I (Ln = Sm, Yb ; hmpa = hexamethylphosphoric triamide)." J.Organomet.Chem.501. 263-269 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
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      1996 Final Research Report Summary
  • [Publications] K.Mashima, S.Fujikawa, Y.Tanaka, Y.Urata, T.Oshiki, E.Tanaka, A.Nakamura: "Living Polymerization of Ethylene Catalyzed by Diene Complexes of Niobium and Tantalum, M (eta^6-C_5Me_5) (eta^4-diene) X_2 and M (eta^5-C_5Me_5) (eta^4-diene)_2・ (M=Nb and Ta) in the Presence of Methylaluminoxane." Organometallics. 14. 2633-3640 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
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      1996 Final Research Report Summary
  • [Publications] S.Yamanaka, T.Kawakami, S.Yamada, H.Nagao, M.Nakano, K.Yamaguchi: "Theoretical studies of spin density populations on nitroxide and nitronylnitroxidderivatives." Chem.Phys.Lett.240. 268-277 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
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      1996 Final Research Report Summary
  • [Publications] R.Hahn, A.Nakamura, T.Tanaka, Y.Nakayama: "Synthesis and Molecular Structure of a Pentacoordinated Nickel (II) Complex with a Mixed S_2N_3 Coordination Sphere." Chem.Phys.Lett.240. 268-277 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
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      1996 Final Research Report Summary
  • [Publications] M.Nakano, K.Yaaguchi, Y.Matuzaki, K.Tanaka, T.Yamabe: "Numerical Liouville Approach : Formulation of Third-order Nonlinear Optical Susceptibilities." J.Chem.Phys.102. 2986-2995 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
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      1996 Final Research Report Summary
  • [Publications] M.Nakano, K.Yaaguchi, Y.Matuzaki, K.Tanaka, T.Yamabe: "Numerical Liouville Approach : Three-type Analysis of Virtual Excitation processes of Third-order Nonlinear Optical Spectrain Third-harmonic Generation." J.Chem.Phys.102. 2996-3004 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
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      1996 Final Research Report Summary
  • [Publications] H.Zaima, N.Ueyama, H.Adachi, A.Nakamura: "^1H-, ^<13>C-, and ^<113>Cd-NMR Study of the Cd (II) Complex of a Blocked Peptide, Z-Cys-Ala-Pro-His-OMe, in Organic Solvents." Biopolymers.35. 319-329 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
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      1996 Final Research Report Summary
  • [Publications] M.Nakano, K.Yamaguchi: "Numerical Liouville Approach : Intensity Dependent Transient Linear and Nonlinear Optical Susceptibilities." Chem.Phys.Lett.234. 323-323 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
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      1996 Final Research Report Summary
  • [Publications] H.Oku, N.Ueyama, A.Nakamura: "Thiolato-Activated Oxo-Metal Bond Featuresin Molybdenum and Tungsten Oxidoreductase Models As Revealed by Raman Spectroscopy." Inorg.Chem.34. 3667-3676 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
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      1996 Final Research Report Summary
  • [Publications] S.Nagatomo, S.Takeda, K.Yamaguchi, M.Iwata, Y.Ishibashi: "New Cation Duffusing Phase of (CH_3NH_3)_5Bi_2Cl_<11>." J.Phys.Soc.Jpn.64. 391-394 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
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      1996 Final Research Report Summary
  • [Publications] M.Nakano, K.Yamaguchi, Y.Matuzaki, K.Tanaka, T.Yamabe: "Numerical Liouville Approach : Third-order Nonlinear Optical Susceptibilities in THG,EFISH and DFWM." Chem.Phys.Lett.233. 411-419 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
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      1996 Final Research Report Summary
  • [Publications] T.Kawakami, S.Yamanaka, W.Mori, K.Yamaguchi, A.Kiajiwara, M.Kamachi: "No-overlap and orientation principle for ferromagnetic interactions between nitroxide groups." Chem.Phys.Lett.235. 414 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
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      1996 Final Research Report Summary
  • [Publications] M.Nakano, I.Shigemoto, S.Yamada, K.Yamaguchi: "Size-consistent Approach and Density Analysis of Hyperpolarizability : Second Hyperpolarizabilities of Polymeric Systems with and with out Defects." J.Chem.Phys.103. 4175-4191 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
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      1996 Final Research Report Summary
  • [Publications] N.Ueyama, T.-A.Okamura, Y.Yamada, A.Nakamura: "Crystal and Solution Structure of Novel Bulky Bis [2,6-di (acylamino) phenyl] Disulfides. Absence of Covalent NH・・・S Hydrogen Bond between Amide NH and Neighboring Disulfide in Bis [2,6-di (pivaloylamino) phenyl] Disulfide." J.Org.Chem.60. 4893-4899 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
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      1996 Final Research Report Summary
  • [Publications] K.Mashima, Y.Tanaka, A.Nakamura: "Synthesis, Characterization, and Reactions of a Mononuclear Tantalum-benzyne Complex, Ta(eta^5-C_5Me_5) (eta^4-C_4H_6) (eta^2-C_6H_4)." Organometallics. 14. 5642-5651 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
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      1996 Final Research Report Summary
  • [Publications] H.Oku, N.Ueyama, A.Nakamura: "Electronic and Steric Effect of Bulky Triphenyl Substituentin the Monooxobenzenedithiolatomolybdenum (V) Complexand the Tungsten Analog as Models of Molybdenum and Tungsten Oxidoreductase." Chem.Lett.621-622 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
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      1996 Final Research Report Summary
  • [Publications] D.Yamaki, S.Yamada, G.Maruta, T.Kawakami, W.Mori.K.Yamaguchi: "Theoretical Calculation of Effective Exchange Integrals for One-and Two-Dimensional Poly (phynylenemethylene) Systems. Possibilities of Organic Ferro-and Ferri -Magnetic Solids." Mol.Cryst.Liq.Cryst.279. 9-18 (1995)

    • Description
      「研究成果報告書概要(欧文)」より
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      1996 Final Research Report Summary
  • [Publications] H.Oku, N.Ueyama, A.Nakamura: "Bonzoin Oxidation at Extreme Temperature by Bis (1,2-benzenedithiolato) dioxotungsteate (VI) Complex : A Model Study for Hyperthermostable Tungsten Oxidoreductases" Chem.Lett.1996. 1131-1132 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
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      1996 Final Research Report Summary
  • [Publications] M.Kondo, H.Oku, N.Ueyama, A.Nakamura: "Synthesis and Properties of a Nitridomolybdenum (VI) Complex Having Benzenedithiolatd Ligands. Effect of the Thiolate on the Activation of the Nitrido Ligand." Bull.Chem.Soc.Jpn.69. 117-123 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
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  • [Publications] Y.Matsuzaki, M.Nakano, K.Yamaguchi, K.Tanaka, T.Yamabe: "Third-order optical nonlinearlity in new p-conjugated polymers : polydiethynylsilane and polysilole." Chem.Phys.Lett.263. 119-125 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
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      1996 Final Research Report Summary
  • [Publications] N.Ueyama, N.Nishikawa, Y.Yamada, T.-A.Okamura, A.Nakamura: "Cytochrome P-450Model (Porphinato) (thiolato) iron (III) Complexes with Single and Double NH・・・S Hydrogen Bonds at the Thiolate Site." J.Am.Chem.Soc.118. 12826-1282 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
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      1996 Final Research Report Summary
  • [Publications] T.Kawakami, S.Takeda, W.Mori, K.Yamaguchi: "Theoretical studies of effective exchange interactions between nitroxidesviahydrogen atoms." Chem.Phys.Lett.261. 129-137 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
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      1996 Final Research Report Summary
  • [Publications] N.Ueyama, Y.Yamada, J.Takeda, T.-A.Okamura, W.Mori, A.Nakamura: "Magnetic properties of intramolecularly hydrogen-bonded carboxylate copper (II) dimercomplexes." J.Chem.Soc., Chem.Commun.1996. 1377-1378 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
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  • [Publications] S.Takeda, F.Kondoh, N.Nakayama, K.Yamaguchi: "Proton Tunneling and Local Symmetry of the Hydrogen Bond in Rb_3H (SO_4)_2" Physica B. 226. 157-160 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
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  • [Publications] S.Yamada, M.Nakano, I.Shigemoto, K.Yamaguchi: "Static second hyperpolarizabilities g of nitroxide radical and formaldehyde : evaluation of spatial contributions to g by a hyperpolarizability density analysis." Cham.Phys.Lett.254. 158-164 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
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      1996 Final Research Report Summary
  • [Publications] I.Shigemoto, M.Nakano, S.Yamada, S.Kiribayashi, K.Yamaguchi: "Theoretical studies on nonlinear optical properties of organometallic conjucated systems I.Static third-order hyperpolarizabilities of first-transition-metal and metalmethylenecations." Mol.Cryst.Liq.Cryst. 286. 159-164 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
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  • [Publications] K.Ueda, S.Takamizawa, W.Mori, K.Yamaguchi: "Magnetic Properties of Basis Copper (II) Formates" Mol.Cryst.Liq.Cryst.286. 17-22 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
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  • [Publications] H.Nagao, H.Kawabe, T.Kawakami, M.Okumura, W.Mori, K.Nishikawa, K.Yamaguchi: "Calculation of magnetization by path integral method I." Mol.Cryst.Liq.Cryst.286. 171-176 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
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  • [Publications] S.Takeda, H.Kataoka, S.Ikeda, K.Ymaguchi: "Rotational Tunneling of Methyl Groups of Sc (CH_3COO)_3 and Sc (CD_3COO)_3." Physica B. 226. 174-177 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
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  • [Publications] T.Kawakami, H.Nagao, K.Ueda, W.Mori, K.Yamaguchi: "Calculation of magnetization by path integral method II." Mol.Cryst.Liq.Cryst.286. 177-184 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
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      1996 Final Research Report Summary
  • [Publications] T.Nogami, T.Ishida, M.Yasui, F.Iwasaki, N.Takeda, M.Ishikawa, T.Kawakami, K.Yamaguchi: "Proposed Mechanism of Ferromagnetic Interaction of Organic Ferromagnets 4- (Arylmethyleneamino) -2,2,6,6-tetramethylpiperidin-1-oxyls and Related Compouds." Bull.Chem.Soc.Jpn.69. 1841-1848 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
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  • [Publications] M.Fujiwara, M.Nishino, S.Takamizawa, W.Mori, K.Yamaguchi: "Ab initio MO calculations of superexchange integrals for transition-metal fluorides : MFM3+ (M=Cu (ii), Ni (ii) and Mn (ii)). Active control of the magnetic states." Mol.Cryst.Liq.Cryst.286. 185-192 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
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  • [Publications] G.Maruta, D.Yamaki, W.Mori, K.Yamaguchi, H.Nishide: "Theoretical Study of Effective Exchange Integrals for Ferromagentic Phenylenevinylene Polymers weth Nitroxides. Possibilities of Organic Ferro-or Ferri-magnetic Solids." Mol.Cryst.Liq.Cryst.279. 19-28 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
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      1996 Final Research Report Summary
  • [Publications] M.Nishino, M.Tanaka, S.Takeda, K.Mashima, W.Mori, K.Tani, A.Nakamura, K.Yamaguchi: "Theoretical studies of direct exchange couplings between transition metal ions I.naked binuclear chromium (II) and molybdenum (II) systems." Mol.Cryst.Liq.Cryst.286. 193-200 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
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  • [Publications] N.Ueyama, T.Taniuchi T.-A.Okamura, A.Nakamura, H.Maeda, S.Emura: "Effect of the NH・・・S Hydrogen Bond on the Nature of Hg-S Bonding in Bis [2- (acylamino) -benzenethiolato] mercury (II) and Bis [2,6-bis (acylamino) benzenethiolato] mercury (II) Complexes." Inorg.Chem.35. 1945-1951 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
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  • [Publications] M.Nishino, M.Tanaka, S.Takeda, K.Mashima, W.Mori, K.Tani, A.Nakamura, K.Yamaguchi: "Theoretical Studies sof Direct Exchange Couplings between Transition Metal Ions II.Tetranuclear Transition Metal Systems." Mol.Cryst.Liq.Cryst.286. 201-210 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] T.Daniel, H.Nagao, H.Nakajima, K., A.Nakamura: "Seven-coordinated 2,2' : 6'2"-Terpyridinemolybdenum (II) Complexes : Synthesis, Structure and Reactivity of [Mo (CO) (C_7H_8) (4,4', 4"-R_3terpy) X] X' (R=H or tBu)" J.Organomet.Chem.509. 225-234 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] K.Mashima, T.Tanaka, M.Kaidzu, A.Nakamura: "cis-iso-Specific Polymerization of Norbornenes by a Unique Combination of Cp^<**> and 1,3-Butadiene Ligands on Tantalum : Crystal Structures of Cp^<**> (eta^4-C_4H_6) Ta (CH_2Ph)_2 and Cp^<**> (eta^4-C_4H_6) Ta (=CHPh) (PMe_3)." Organometallics. 15. 2431-2433 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] M.Nakano, S.Yamada, I.Shigemoto, K.Yamaguchi: "Dynamic (hyper) polarizability density analysis based on virtual excitation processes : Visuallization of dynamic electron fluctuatability of systemsunder time-dependent external electric fields." Chem.Phys.Lett.250. 247-254 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] Y.Yoshioka, S.Yamada, T.Kawakami, M.Nishino, K.Yamaguchi, I.Saito: "Ab Initio Molecular Orbital Studies of Singlet Oxygen Reactions of Olefins, Enol Ethers, and Enamines." Bull.Chem.Soc.Jpn. 69. 2638-2699 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] Y.Yoshioka, S.Yamanaka, S.Yamada, T.Kawakami, M.Nishino, K.Yamaguchi, A.Nishinaga: "Theoretical and Experimental Studies of a Charge-Transfer Mechanism for Biomimetic Oxygenations of Phenol and Indol Derivatives." Bull.Chem.Soc.Jpn.69. 2701-2722 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] T.Kawakami, A.oda, W.Mori, K.Yamaguchi, K.Inoue, H.Iwamura: "THeoretical Studies of the Ferromagnetic Intermolecular Interaction of p-Carboxylate Phenyl Nitronyl Nitroxide." Mol.Cryst.Liq.Cryst.279. 29-38 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] M.Nakano, Y.Matsuzaki, H.Nagao, S.Yamada, I.Shigemoto, K.Yamaguchi: "Damping wave packets approach : a caluculation method of intensity-dependent nonlinear optical susceptibilities including effects of nuclear motions at finite temperatures." Chem.Phys.Lett.258. 307-315 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] H.Oku, N.Ueyama , A.Nakamura: "A Comparison between the Structures of Tungstopterin Cofactor in Tungsten Oxidoreductase and a Model Complex, cis-Dioxobis (2,3-naphthalenedithiolate) tungsten (VI) in Their O-Atom Transfer Reaction." Chem.Lett.1996. 31-32 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] H.Oku, N.Ueyama, A.Nakamura: "Stbilization of Oxo-Metal Bonding by the pi-Conjugated System in Dithiolate Ligandsxis : cis-Dioxotungsten (VI) Bis (naphthalenedithiolato) and the Related Complexes as Modeles for Tungsten Oxidoreductases" Bull.Chem.Soc.Jpn.69. 3139-3150 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] Y.Yoshioka, D.Yamaki, G.Maruta, T.Tsunesada, K.Takada, T.Noro, K.Yamaguchi: "NO-Theoretical Description of Electronic Structures of Tricentric Bis-desmiphiles in the Ground and Excited States." Bull.Chem.Soc.Jpn. 69. 3395-3415 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] T.Ueno, N.Ueyama, A.Nakamura: "Redox Behavior of 4Fe-4S Ferredoxin Model Arenethiolate Complexes Involving Specific NHS Hydrogen Bonds Assisted by a Neighboring phenyl Group." J.Chem.Soc., Dalton Trans.1996. 3859-3863 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] M.Nakano, S.Yamada, I.Shigemoto, K.Yamaguchi: "Theoretical study on the geometry dependence of the second hyperpolarizability of allyl cation based on a numerical Liouvile three-type analysis." Chem.Phys.Lett.251. 391-396 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] H.Nakano, A.Nakamura, K.Mashima: "Linear Trinuclear Pt・・・Mo-Mo Complexes [Mo_2PtX_2 (pyphos)_2 (O_2CR)_2]_2 (X = Cl, Br, I ; R = CH_3, C (CH_3)_3 ; pyphos = 6-diphenylphosphino-2-pyridonate) with an Axial Interaction between the Quadruply Bonded Mo_2 Moiety and the Platinum Atom." Inorg.Chem.35. 4007-4012 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] K.Mashima, M.Tanaka, K.Tani, H.Nakano, A.Nakamura: "Dinuclear Pd (I) -Pd (I) and Pt (II) ・・・Pt (II) Complexes Supportadby Tridentate PyphosLigands (pyphos = 6- (dephenylphosphino) -2-pyridonate)." Inorg.Chem.35. 5244-5248 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] N.Ueyama, H.Oku, M.Kondo, T.-A.Okamura, N.Yoshinaga, A.Nakamura: "Trans Influence of Oxo and Dithiolene Coordination in Oxidized Models of Molybdenum Oxidoredactase : Synthesis, Structures, and Properties of Q_2 [MoVIO_2 (1,2- benzenedithiolato)_2] (Q=NEt_4, PPh_4) and Related Complexes." Inorg.Chem.35. 643-650 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] N.Ueyama, Y.Yamada, T.-A.Okamura, S.Kimura, A.Nakamura: "Structure and Properties of [Fe_4S_4 {2,6-bis (acylamino) -benzenethiolato-S}_4 ]^<2-> and [Fe_2S_2 {2,6-bis (acylamino) -benzenethiolato-S}_4]^<2-> : Protection of the Fe-S Bond by Double NH・・・S Hydrogen Bonds." Inorg.Chem.35. 6473-6484 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] M.Nakano, S.Kiribayachi, S.Yamada, I.Shigemoto, K.Yamaguchi: "Theoretical study of the second hyperpolarizabilities of three charged states of pentalene. A consideration of the structure-property correlation for the sensitive second hyper polarizability." Chem.Phys.Lett.262. 66-73 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] Y.Nakayama, H.Saito, and A.Nakamura: "Selective Synthesis of Tungsten (VI) Mono (catecholato) Complexes Using 1,2-Bis (trimethylsiloxy) benzenes : Molecular Structure of WCl_4 (O_2C_6H_4)." Chem.Lett.1996. 691-692 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] M.Nishino, S.Yamanaka, Y.Yoshioka, K.Yamaguchi: "Theoretical Approaches to Direct Exchange Coupling between Divalent Chromium Ions in Naked Dimer, Tetramer and Clusters" J.Phys.Chem.101. 705-712 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] H.Nagao, M.Nakano, S.Yamanaka, Y.Shigeta, S.Yamada, D.Yamaki, I.Shigemoto, S.Kiribayashi, K.Yamaguchi: "Many-Electron-Wavepackets Method." Int.J.Quantum Chem.60. 79-89 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] H.Takahashi, T.Kasai, K.Yamaguchi: "Wave Packet Simulation on the Cage Effect in the Full Scarrering : CF3H + Ar (3P) -CF3^<**> +H + Ar" Chem.Lett.1996. 793-794 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] Y.Nakayama, T.Shibahara, H.Fukumoto, A.Nakamura, K.Mashima: "Syndiospecific Polymerization of Methyl Methacrylate Catalyzed by Lanthanoid Thiolate Complexes Bearing Hexamethyl phosphoric Triamide Ligand." Macromolecules. 29. 8014-8016 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] K.Hatanaka, Y.Morita, T.Ohba, K.Yamaguchi, T.Takui, M.Kinoshita, K.Nakasuji: "Detection of New Neutral Radicals : 2-Phenyl-and 2-P-Methoxyphenhyl-3-oxophenalenoxyl Radicals." Tetrahedron Lett. 37. 873-876 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] K.Mashima, H.Nakano, A.Nakamura: "Reductive Formation of Straight Linear Metal-Metal Bonded Tetranuclear Complexes X-M-Mo-Mo-M-X from X_2M・・・Mo-Mo・・・MX_2 Supported by Four Tridentate 6-Diphenylphosphino-2-pyridonate Ligands (M = Pd, Pt ; X = Cl, Br, I)." J.Am.Chem.Soc.118. 9083-9095 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] K.Mashima, Y.Nakayama, T.Shibahara, H.Fukumoto, A.Nakamura: "Synthesis of Arenethiolate Complexes of Divalent and Trivalent Lanthanides from Metallic Lanthanides and Diaryl Disulfides : Crystal Structures of [{Yb (hmpa)_3}_2 (mu-SPh)_3] [SPh] and Ln (SPh)_3 (hmpa)_3 (Ln = Sm, Yb ; hmpa = hexamethylphosphoric triamide)" 35. 93-99 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] M.Nakano, H.Nagao, K.Yamaguchi: "Many-electron Hyperpolarizability Density Analysis : Application to Dissociation Process of One-Dimensional H2" Phys.Rev.A. 55. 1503-1513 (1997)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] S.Takeda, H.Fukumoto, K.Mashima, G.Maruta, K.Yamaguchi, A.Nakamura: "Thermochromismand Dynamics of Organometallis Conjugated Systems + Zirconocene Complex of 1,4-Diphynyl-1,3-butadiene" J.Phys.Chem.101. 278-284 (1997)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] H.Takahashi, T.Kasai, K.Yamaguchi: "Wavepacket Dynamics in the Full Reaction of CF3H + Ar (3P) -CF3^<**> + H + Ar : Quantum Interference for the H-end Orientation" Chem.Phys.Lett.264. 44-50 (1997)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] H.Nagao, K.Kawabe, K.Kodama, Y.Shigeta, K.Nishikawa, M.Nakano, K.Yamaguchi: "Nonadiabatic Treatment of Molecular System by the Wavepacket Method" Int.J.Quant.Chem.60. 49-58 (1997)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] T.Kawakami, A.Oda, S.Takeda, W.Mori, T.Ishida, M.Yasui, F.Iwasaki, T.Nogami, K.Yamaguchi: "Magnetic Interaction via b-Hydrogen Atomsin TEMPO Derivatives." Mol.Cryst.Liq.Cryst.(in press). (1997)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] N.Ueyama,K.Taniuchi,T.Okamura,A.Nakamura,: "Effect of the NH…S Hydrogen Bond on the Nature of Hg-S Bonding in Bis[2-(acyl-amino)benzenethiolato]mercury(II)and Bis[2,6-bis(acylamino)benzenethiolate]…" Inorg.Chem.35(7). 1945-1951 (1996)

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      1996 Annual Research Report
  • [Publications] H.Nakano,A.Nakamura,K.Mashima: "Linear Trinuclear Pt…Mo-Mo Complexes[Mo_2PtX_2(pyphos)_2(O_2CR)_2]_2(X=Cl,Br,I;R=CH_3,C(CH_3)_3:pyphos=6-(Diphenylphosphino)-2-pyridonate)with…" Inorg.Chem.35(13). 4007-4012 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] K.Mashima,M.Tanaka,K.Tani,H.Nakano,A.Nakamura: "Dinuclear Pd(I)-Pd(I)and Pt(II)…Pt(II)Complexes Supported by Tridentate Pyphos Ligands(Pyphos=6-(Diphenylphosphino)-2-pyridonate)." Inorg.Chem.35(18). 5244-5248 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] T.Daniel,H.Nagao,H.Nakajima,K.Tanaka,A.Nakamura: "Seven-coordinated 2,2':6'2''-terpyridinemolybdenum(II)complexes:synthesis,structure and reactivity of[Mo(CO)(C_7H_8)(4,4',4''-R_3terpy)X]X'(R=H or ^tBu)." J.Organomet.Chem.509. 225-234 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] Y.Nakayama,H.Saito,A.Nakamura: "Selective Synthesis of Tungsten(VI)Mono(catecholato)Complexes Using 1,2-Bis(trimethylsiloxy)benzenes:Molecular Structure of WCl_4(O_2C_6H_4)." Chem.Lett.1996. 691-692 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] N.Ueyama,T.Okamura,W.Mori,A.Nakamura: "Magnetic properties of intramolecularly hydrogen-bonded carboxylate copper(II)dimer complexes." Chem.Commun.1996. 1377-1378 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] K.Mashima,Y.Tanaka,M.Kaidzu,A.Nakamura: "cis-iso-Specific Polymerization of Norbornenes by a Unique Combination of Cp^* and 1,3-Butadiene Ligands on Tantalum:Crystal Structures of Cp^*(h^4-C_4H_6)Ta(CH_2Ph)_2…" Organometallics. 15(10). 2431-2433 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] K.Mashima,H.Nakano,A.Nakamura: "Reductive Formation of Straight Linear Metal-Metal Bonded Tetranuclear Complexes X-M-Mo-Mo-M-X from X_2M…Mo…Mo…MX_2 Supported by Four Tridentate 6-Diphenylphosphino-2-pyridonate Ligands." J.Am.Chem.Soc.118(38). 9083-9095 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] N.Ueyama,Y.Yamada,T.Okamura,A.Nakamura: "Structure and Properties of[Fe_4S_4{2,6-bis(acylamino)benzenethiolato-S}_4]^<2-> and[Fe_2S_2{2,6-bis(acylamino)benzenethiolato-S}_4]^<2->:Protection of the Fe-S Bond by…" Inorg.Chem.35(22). 6473-6484 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] H.Oku,N.Ueyama,A.Nakamura: "Stabilization of Oxo-Metal Bonding by the π-Conjugated System in Dithiolate Ligands:cis-Dioxotungsten(VI)Bis(naphthalenedithiolato)and the Related Complexes as…" Bull.Chem.Soc.Jpn.69(11). 3139-3150 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] Y.Nakayama,T.Shibahara,A.Nakamura,K.Mashima: "Syndiospecific Polymerization of Methyl Methacrylate Catalyzed by Lanthanoid Thiolate Comlexes Bearing a Hexamethylphosphoric Triamide Ligand." Macromolecules. 29(24). 8014-8016 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] H.Oku,N.Ueyama,A.Nakamura: "Benzoin Oxidation at Eztreme Temperature by Bis(1,2-benzenedithiolato)dioxotungstate(VI)Complex:A Model Study for Hyperthermostable Tungsten…" Chem.Lett.1996. 1131-1132 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] T.Ueno,N.Ueyama,A.Nakamura: "Redox behaviour of 4Fe-4S ferredoxin model arenethiolate complexes involving specific NH…S hydrogen bonds assisted by a neighbouring phenyl group." J.Chem.Soc.,Dalton Trans.1996. 3859-3863 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] N.Ueyama,Y.Yamada,T.Okamura,A.Nakamura: "Cytochrome P-450 Model(Porphinato)-(thiolato)iron(III)Complexes with Single and Double NH…S Hydrogen Bonds at the Thiolate Site." J.Am.Chem.Soc.118(50). 12826-12827 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] D.Yamaki,S.Yamada,G.Maruta,T.Kawakami,W.Mori,K.Yamaguchi: "Theoretical Calculation of Effective Exchange Integrals for One and Two-dimensional Poly(Phenylenemethylene)Systems.Possibilities of Organic Ferro-and Ferri-Magnetic Solids," Mol.Cryst.Liq.Cryst.279. 9-18 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] G.Maruta,D.Yamaki,W.Mori,K.Yamaki,H.Nishide: "Theoretical Study of Effective Exchange Integrals for Ferromagnetic Phenylenevinylene Polymers with Nitroxides.Possibilities of Organic Ferro-or Ferrimagnetic Solids," Mol.Cryst.Liq.Cryst.279. 19-28 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] T.Kawakami,A.Oda,W.Mori,K.Yamoguchi,K.Inoue,H.Iwamura: "Theoretical Studies of the Ferromagnetic Intermolecular Interaction of p-Carboxylate Phenyl Nitronyl Nitorxide," Mol.Cryst.Liq.Cryst.279. 29-38 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] K.Hatnaka,Y.Morita,T.Ohba,K.Yamaguchi,T.Takui,M.Kinoshita,K.Nakasuji: "Detection of New Neutral Radicals:2-Phenyl-and 2-p-Methoxyphenyl-3-oxophenalenoxyl Radicals" Tetrahedron Lett.37. 873-876 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] K.Ueda,S.Takamizawa,W.Mori,K.Yamaguchi: "Magnetic Properties of Basis Copper(II) Formates," Mol.Cryst.Liq.Cryst. 286. 17-22 (1996)

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      1996 Annual Research Report
  • [Publications] I.Shigemoto,M.Nakano,S.Yamada,S.Kiribayashi: "Theoretical Studies on Nonlinear Optical Properties of Organometallic Conjugated Systems I:Static Third-order Hyperpolarizabilities of First-Transition Metal and Metal-Methylene Cations," Mol.Cryst.Liq.Cryst. 286. 159-164 (1996)

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      1996 Annual Research Report
  • [Publications] H.Nagao,H.Kawabe,T.Kawakami,M.Okumura,W.Mori,K.Nishikawa,K.Yamaguchi: "Calculation of magnetization by path integral method I." Mol.Cryst.Liq.Cryst. 286. 171-176 (1996)

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      1996 Annual Research Report
  • [Publications] T.Kawakami,H.Nagao,K.Ueda,W.Mori,K.Yamaguchi: "Calculation of Magnetization by Path Integral Method II" Mol.Cryst.Liq.Cryst. 286. 177-184 (1996)

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      1996 Annual Research Report
  • [Publications] M.Fujiwara,M.Nishino,S.Takamizawa,W.Mori,K.Yamaguchi: "Ab initio MO Calculations of Superexchange Intgrals for Transition-metal Fluorides:MFM3+(M=Cu(II),Ni(II)and Mn(II)).Active Control of the Magnetic States" Mol.Cryst.Liq.Cryst. 286. 185-192 (1996)

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      1996 Annual Research Report
  • [Publications] M.Nishino,M.Tanaka,S.Takeda,K.Mashima,W.Mori,K.Tani,A.Nakamura,K.Yamaguchi: "Theoretical Studies of Direct Exchange Couplings between Transition Metal Ions I.Naked Binuclear Chromium(II)and Molybdenum(II)Systems," Mol.Cryst.Liq.Cryst. 286. 193-200 (1996)

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      1996 Annual Research Report
  • [Publications] M.Nishino,M.Tanaka,S.Takeda,K.Mashima,W.Mori,K.Tani,A.Nakamura,K.Yamaguchi: "Theoretical Studies of Direct Exchange Couplings between Transition Metal Ions II.Tetranuclear Transition Metal Systems" Mol.Cryst.Liq.Cryst. 286. 201-210 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] I.Nogami,T.Ishida,M.Yasui,F.Iwasaki,N.Takeda,M.Ishikawa,T.Kawakami,K.Yamaguchi: "Proposed Mechanism of Ferromagnetic Interaction of Organic Ferromagnet 4-(Arylmethyleneamino)2,2,6,6tetramethylpiperidin-1-oxyl and Related Compounds," Bull.Chem.Soc.Jpn.69. 1841-1848 (1996)

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      1996 Annual Research Report
  • [Publications] H.Takahashi,T.Kasai,K.Yamaguchi: "Wave Packet Simulation on the Cage Effect in the Full Scattering:CF3H+Ar(3P)-CF3^*+H+Ar," Chem.Lett.793-794 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] M.Nakano,S.Yamada,I.Shigemoto,K.Yamaguchi: "Theoretical Study on the Geometry Dependence of the Second Hyperpolarizability of Allyl Cation Based on a Numerical Liouvile Three-type Analysis," Chem.Phys.Lett.251. 391-396 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] S.Yamada,M.Nakano,I.Shigemoto,K.Yamaguchi: "Static Second Hyperpolarizabilities g of nitroxide radical and formaldehyde:Evaluation of spatial contributions to g by a hyperpolarizability density analysis," Chem.Phys.Lett.254. 158-164 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] M.Nakano,Y.Matsuzaki,H.Nagao,S.Yamada,I.Shigemoto: "Damping wave packet approach:a calculation method of nonperturbative nonlinear optical susceptibilities including effects of nuclear motion at finite temperatures," Chem.Phys.Lett.258. 307-315 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] M.Nakano,S.Yamada,I.Shigemoto,K.Yamaguchi: "Dynamic(hyper)polarizability density analysis based on virtual exciation process:visualization of the dynamic electron fluctuatability of systems under time-dependent external electric fields," Chem.Phys.Lett.250. 247-254 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] M.Nakano,S.Kiribayashi,S.Yamada,I.Shigemoto,K.Yamaguchi: "Theoretical Study of the Second Hyperpolarizabilities of Three Charged States of Pentalene.A Consideration of the Structure-Property Correlation for the Sensitive Second Hyperpolarizability," Chem.Phys.Lett.262. 66-73 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] Y.Yoshioka,s.Yamanaka,S.Yamada,T.Kawakami,M.Nishino,K.Yamaguchi,A.Nishinaga: "Theoretical and Experimental Studies of a Charge-Transfer Mechanism for Biomimetic Oxygenations of Phenol and Indol Derivatives" Bull.Chem.Soc.Jpn.69. 2701-2722 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] Y.Yoshioka,S.Yamada,T.Kawakami,M.Nishino,K.Yamaguchi,I.Saito: "Ab Initio Molecular Orbital Studies of Singlet Oxygen Reactions of Olefins,Enol Ethers and Enamines," Bull.Chem.Soc.Jpn.69. 2638-2699 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] H.Nagao,M.Nakano,S.Yamanoka,Y.Shigeta,S.Yamada,D.Yamaki,I.Shigemoto,S.Kiribayashi,K.Yamaguchi: "Many-electron Wavepacket Method," Int.J.Quant.Chem.60. 79-89 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] H.Nagao,K.Kawabe,K.Kodama,Y.Shigeta,K.Nishikawa,M.Nakano,K.Yamaguchi: "Nonadiabatic Treatment of Molecular System by the Wavepacket Method," Int.J.Quant.Chem.60. 49-58 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] S.Takeda,H.Kataoka,S.Ikeda,K.Yamaguchi: "Rotational Tunneling of Methyl Groups of Sc(CH3COO)3 and Sc(CD3COO)3" Physica B. 226. 174-177 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] S.Takeda,F.Kondoh,N.Nakamura,K.Yamaguchi: "Proton Tunneling and Local Symmetry of the Hydrogen Bond in Rb3H(SO4)2" Physica B. 226. 157-160 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] Y.Matsuzaki,M.Nakano,K.Yamaguchi,K.Tanaka,T.Yamada: "Third-order Optical Nonlinearity in new p-conjugated polymers:polydiethylsiane and polysilole," Chem.Phys.Lett.263. 119-125 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] T.Kawakami,S.Takeda,W.Mori,K.Yamaguchi,: "Theoretical Studies of Effective Exchange Interations between nitroxides via hydrogen atoms," Chem.Phys.Lett.261. 129-137 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] Y.Yoshioka,D.Yamaki,G.Maruta,T.Tsunesada,K.Tanaka,T.Noro,K.Yamaguchi: "MO-theoretical Description of Electronic Structures of Tricentric Bisdesmiphiles in the Ground and Excited States" Bull.Chem.Soc.Jpn.69. 3395-3415 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] M.Nishino,S.Yamanaka,Y.Yoshioka,K.Yamaguchi: "Theoretical Approaches to Direct Exchange Couplings between Divalent Chromium Ions in Naked Dimer,Tetramer and Clusters," J.Phys.Chem.101. 705-712 (1997)

    • Related Report
      1996 Annual Research Report
  • [Publications] H.Takahashi,T.Kasai,K.Yamaguchi: "Wavepacket Dynamics in the Full Reaction of CF3H+Ar(3P)-CF3^*+H+Ar:Quantum Interference for the H-end Orientation," Chem.Phys.Lett.264. 44-50 (1997)

    • Related Report
      1996 Annual Research Report
  • [Publications] S.Takeda,H.Fukumoto,K.Mashima,G.Maruta,K.Yamaguchi,A.Nakamura: "Thermochromism and Dynamics of Organometallic Conjugated Systems+Zirconocene Complex of 1,4-Diphenyl-1,3-butadiene," J.Phys.Chem.101. 278-284 (1997)

    • Related Report
      1996 Annual Research Report
  • [Publications] M.Nakano,H.Nagao,K.Yamaguchi: "Many-electron Hyperpolarizability Density Analysis:Application to Dissociation Process of One-Dimensional H2" Phys.Rev.A. 55. 1503-1513 (1997)

    • Related Report
      1996 Annual Research Report
  • [Publications] K.Mashima,Y.Nakayama,A.Nakamura: "Recent Trends in Polymerization of a-Olefins Catalyzed by Organometallic Complexes of Early Transition Metals." Adv.Polym.Sci.(in press).

    • Related Report
      1996 Annual Research Report
  • [Publications] H.Oku,N.Ueyama,A.Nakamura: "Association of Oxo-Molybdenum Dithiolene Complexes with a Multiamide Additive and Its Influence on the Ease of O-Atom Transfer." Inorg.Chem.(in press).

    • Related Report
      1996 Annual Research Report
  • [Publications] M.Nishino,K.Mashima,S.Takeda,M.Tanaka,W.Mori,K.Tani,A.Nakamura,K.Yamaguchi,: "Theoretical Studies of One-dimensional Tetranuclear Transition Metal Systems and Their Clusters," Mol.Cryst.Liq.Cryst.(in press).

    • Related Report
      1996 Annual Research Report
  • [Publications] A.Oda,T.Kawakami,S.Takeda,W.Mori,Y.Hosokoshi,M.Tamura,M.Kinoshita,K.Yamaguchi: "Theoretical Studies on Magnetic Interactions in p-Cyanophenyl Nitronyl Nitroxide Crystal," Mol.Cryst.Liq.Cryst.(in press).

    • Related Report
      1996 Annual Research Report
  • [Publications] G.Maruta,S.Takeda,T.Kawakami,W.Mori,R.Imachi,T.Ishida,T.Nogami,K.Yamaguchi: "Solid State 1H-Mas-NMR and Spin Densities on Protons of the Organic Ferromagnetic TEMPO Derivatives" Mol.Cryst.Liq.Cryst.(in press).

    • Related Report
      1996 Annual Research Report
  • [Publications] W.Mori,T.C.Konayashi,J.Kurobe,K.Amaya,Y.Narumi,T.Kumada,K.Kindo,H.A.Katori,T.Goto,N.Miura,S.Takamizawa,H.Nakayama,K.Yamaguchi: "Magnetic Properties of Oxygen Physisorbed in Cu-Trans-1,4-Cyclohexanedicarboxylic Acid" Mol.Cryst.Liq.Cryst.(in press).

    • Related Report
      1996 Annual Research Report
  • [Publications] K.Ueda,S.Takamizawa,W.Mori,S.Kubo,K.Yamaguchi: "Theoretical Study and Comparison with Experiments for Atacamite,Cu2Cl(OH)3." Mol.Cryst.Liq.Cryst.(in press).

    • Related Report
      1996 Annual Research Report
  • [Publications] T.Kawakami,A.Oda,S.Takeda,W.Mori,T.Ishida,M.Yasui,F.Iwakaki,T.Nogami,K.Yamaguchi: "Magnetic Interaction via b-Hydrogen Atoms in TEMPO Derivatives" Mol.Cryst.Liq.Cryst.(in press).

    • Related Report
      1996 Annual Research Report
  • [Publications] M.Nishino,S.Kubo,Y.Yoshioka,A.Nakamura,K.Yamaguchi: "Theoretical Studies on Magnetic Interactions in Prussian Blue Analogs and Active Controls of Spin States by External Fields," Mol.Cryst.Liq.Cryst.(in press).

    • Related Report
      1996 Annual Research Report
  • [Publications] H.Nagao,M.Nakano,S.Yamada,K.Ohta,K.Yamaguchi: "Theoretical Study on the Second Hyperpolarizability of H3+system by Path Integral Method," Synthetic Metals. (in press).

    • Related Report
      1996 Annual Research Report
  • [Publications] S.Kiribayashi,M.Nakano,S.Yamada,I.Shigemoto,H.Nagao,k.Yamaguchi: "Theoretical Studies for Second Hyperpolarizabilities of Alternant and Condensed-ring Conjugated Systems II," Synthetic Metals. (in press).

    • Related Report
      1996 Annual Research Report
  • [Publications] T.Kawakami,H.Nagao,W.Mori,K.Yamaguchi: "Calculation of Magnetization by Path Integral Method." Synthetic Metals. (in press).

    • Related Report
      1996 Annual Research Report
  • [Publications] M.Nakano,S.Kiribayashi,I.Shigemoto,K.Yamaguchi: "Hyperpolarizabilities of One-Dimensional Systems I." Synthetic Metals. (in press).

    • Related Report
      1996 Annual Research Report
  • [Publications] S.Yamada,M.Nakano,S.Kiribayashi,I.Shigemoto,K.Yamaguchi: "Theoretical Studies on Hyperpolarizabilities of Nitroxide Species.III.Effects of Intermolecular Interactions of p-NPNN" Synthetic Metals. (in press).

    • Related Report
      1996 Annual Research Report
  • [Publications] I.Shigemoto,M.Nakano,S.Yamada,S.Kiribayashi,K.Yamaguchi: "Theoretical Studies on Nonlinear Optical Properties of Organometallic Conjugated Systems III:Second Hyperpolarizabilities of Mn(I)-Carbene Systems" Synthetic Metals. (in press).

    • Related Report
      1996 Annual Research Report
  • [Publications] M.Nishino,K.Mashima,S.Takeda,M.Tanaka,W.Mori,K.Tani,A.Nakamura,K.Yamaguchi: "CASCI and CASSCF Studies of Dinuclear Transition Metal Systems with Quadruple Metal-Metal Bonds(M=Cr(II),Mo(II))" Mol.Cryst.Liq.Cryst.(in press).

    • Related Report
      1996 Annual Research Report
  • [Publications] M.Nakano,H.Nagao,K.Ohta,K.Yamaguchi: "Path Integral Approach to Non-linear Oprical Phenomena I.Polarizability and Hyperpolarizabilities for Many-electron Systems," J.Chem.Phys.(in press).

    • Related Report
      1996 Annual Research Report
  • [Publications] H.Nagao et al.: "Path Integral Approach to Molecular Systems by Thouless Parametrization and its Numerical Calculations," Int.J.Quant.Chem.(in press).

    • Related Report
      1996 Annual Research Report
  • [Publications] M.Nakano,S.Yamada,I.Shigemoto,S.Kiribayashi,K.Yamaguchi: "Theoretical studies on hyperpolarizabilities of nitroxide species II.Second hyperpolarizabilities of p-NPNN." Mol.cryst.Liq.cryst.(in press).

    • Related Report
      1996 Annual Research Report
  • [Publications] S.Yamada,M.Nakano,I.Shigemoto,S.Kiribayashi,K.Yamaguchi: "Intense electron correlation dependences of first hyperpolarizability β for nitroxide radical and formaldehyde." Chem.Phys.Lett.(in press).

    • Related Report
      1996 Annual Research Report
  • [Publications] S.Yamada,M.Nakano,I.Shigemoto,S.Kiribayashi,K.Yamaguchi: "Theoretical study on the third-order nonlinear optical susceptibilities β for β-phase crystal of p-NPNN" Chem.Phys.Lett.(in press).

    • Related Report
      1996 Annual Research Report
  • [Publications] N.Ueyama,T.Okamura,A.Nakamura: ""New Macromolecular Architecture and Functions" Chemical Functions of NH…S Hydrogen Bonds in Model Complexes of Iron-Sulfur Metalloproteins." Spriger-Velag, 11 (1996)

    • Related Report
      1996 Annual Research Report
  • [Publications] H.Kawaguchi,K.Tatsumi,A.Nakamura: "A Zigzag Chain Structure of a 3-Thiapentane-1,5-dithiolato Vanadium Complex linked by Lithium ions" J.Chem.Soc.,Chem.Commun.1995. 111-112 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] W.-Y.Sun,T.Ueno,N.Ueyama,A.Nakamura: "^<19>F NMR Investigations of Cobalt(II)Complexes with Cysteine-Containing Peptide Ligands" Magnetic Resonance in Chemistry. 33. 174-177 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] H.Zaima,N.Ueyama,H.Adachi,A.Nakamura: "^1H,^<13>C,and^<113>Cd-NMR Study of the Cd(II)Complex of a Blocked Peptide,Z-Cys-Ala-Pro-His-OMe,in Organic Solvents" Biopolymers. 35. 319-329 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] A.Nakamura: "Organometallic π-Conjugated Systems" Bull.Chem.Soc.Jpn.68. 1515-1521 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] H.Oku,N.Ueyama,A.Nakamura: "Thiolato-Activated Oxo-Metal Bond Features in Molybdenum and Tungsten Oxidoreductase Models As Revealed by Raman Spectroscopy" Inorg.Chem.34. 3667-3676 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] K.Mashima,S.Fujikawa,Y.Tanaka,H.Urata,T.Osiki,E.Tanaka,A.Nakamura: "Living Polymerization of Ethylene Catalyzed by Diene Complexes of Niobium and Tantalum,M(η^5-C_5Me_5)(η^4-diene)X_4 and M(η^5-C_5Me_5)(η^4-diene)_2(M=Nb and Ta),…" Organ ometallecs. 14. 2633-2640 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] N.Ueyama,T.Okamura,Y.Yamada,A.Nakamura: "Crystal and Solution Structures of Novel Bulky Bis〔2,6di(acylamino)phenyl〕Disulfides.Absence of Convalent NH cS Hydrogen Bond between Amide NH and Neighboring Disulfide-" J.Org.Chem. 60. 4893-4899 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] H.Oku,N.Ueyama,A.Nakamura: "Electronic and Steric Effect of Bulky Triphenylsilyl Substituent in the Monooxobenzenedithiolatomolybdenum(V)Complex and the Tungsten Analog as Models of Molybdenum and Tungsten Oxidoreductases" Chem.Lett.1995. 621-622 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] A.Nakamura,K.Mashima: "Recent progress in the chemistry of 1,3-diene complexes of niobium and tantalum" J.Organomet.Chem.500. 261-267 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] K.Mashima,T.Shibahara,Y.Nakayama,A.Nakamura: "Synthesis and characterization of cationic pyridine-2-thiolate complexes of lanthanoid(III):crystal structures of pentagonal bipyramidal[Ln(SC_5H_4N)_2(hmpa)_3]I C" J.Organomet.Chem.501. 263-269 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] K.Mashima,Y.Tanaka,A.Nakamura: "Synthesis,characterization and reactions of ethylene complexes bearing Ta(η^5-C_5R_5)(η^4-buta-1,3-diene)fragments(R=H,Me)" J.Organomet.Chem.502. 19-23 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] T.Daniel,H.Nagao,K.Tanaka,A.Nakamura: "Norbornadiene(bipyridyl)molybdenum(II)Complexes:Synthesis,Structure and Reactivity of[Mo(Co)(C_7H_8)(C_<10>H_6R_2N_2](X=I,Br)" chem.Ber. 128. 1007-1013 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] K.Mashima,Y.Tamaka,A.Nakamura: "Synthesis,characterization,and reactions of a mononuclear tantalum-benzyne complex,Ta(η^5-C_5Me_5)(η^4-C_4H_6)(η^2-C_6H_4)" Organometallics. 14. 5642-5651 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] R.Hahn,A.Nakamura,K.Tanaka,Y.Nakayama: "Synthesis and Molecular Structure of a Pentacoordinated Nickel(II)Complex with a Mixed S_2N_3 Coordination Sphere" Inorg.Chem.34. 6562-6564 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] H.Oku,N.Ueyama,A.Nakamura: "A Comparison between the Structures of Tungstopterin Cofactor in Tungsten Oxidoreductase and Model Complex,cis-Dioxobis(2,3-naphthalenedithiolate)tungsten(VI)in Their O-Atom Transfer Reaction" Chem.Left.31. 31-32 (1996)

    • Related Report
      1995 Annual Research Report
  • [Publications] M.Kondo,H.Oku,N.Ueyama,A.Nakamura: "Synthesis and Properties of a Nitridomolybdenum(VI)Complex Having Benzenedithiolate Ligands.Effect of the Thiolate on the Actication of the Nitrido Ligand" Bull.Chem.Soc.Jpn.69. 117-123 (1996)

    • Related Report
      1995 Annual Research Report
  • [Publications] K.Mahima,Y.Nakayama,T.Shibahara,H.Fukumoto,A.Nakamura: "Synthesis of Arenethiolate Complexes of Divalent and Trivalent Lanthanides from Metallic Lanthanides and Diaryl Disulfides:Crystal Structures of [{Yb(hmpa)_3}_2(μ-SPh)_3][SPh]and Ln(sph)_3(hmpa)_3…" Inorg.Chem.35. 93-99 (1996)

    • Related Report
      1995 Annual Research Report
  • [Publications] N.Yeyama,H.Oku,M.Kondo,T.Okamura,N.Yoshinaga,A.Nakamura: "Trans Influence of Oxo and Dithiolene Coordination in Oxidized Models of Molybdenum Oxidoredactactase:Synthesis,Structures,and Properties of Q_2[Mo^<VI>O_2(1,2-benzenedithiolato)_2](Q=NEt_4,PPh_4)and…" Inorg.Chem.35. 643-650 (1996)

    • Related Report
      1995 Annual Research Report
  • [Publications] M.Nakano,S.Yamada,K.Yamagauchi: "Theoretical studies on hyperpolarizabilities of nitroxide species I." Syntheticc Metals. 71. 1691-1692 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] Y.Matuzaki,M.Nakano,K.Yamaguchi,K.Tanaka et al.: "Second hyperpolarizabilities of p-conjugated silicon-ring polymers" Syntheticc Metals. 71. 1737-1738 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] M.Nakano,K.Yamaguchi: "Numerical Liouville approach:intensity-dependent transient linear andnonlinear optical susceptibilities" Chem.Phys.Lett.234. 323-329 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] M.Nakano,I.Shigemoto,S.Yamada,K.Yamaguchi: "Size-consistent approach and density analysis of hyperpolarizability:Second hyperpolarizabilities of polymeric systems with and without defects" J.Chem.Phys.103. 4175-4191 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] M.Kitazawa,M.Takahashi,T.Wada,,H.Sasabe,M.Nakano,: "Theoretical evaluation of hyperpolarizability of L-2-pyrrolidone-5-carboxylic acid" Bull.Chem.Soc.Jpn.68. 2215-2224 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] M.Nakano,S.Yamada,I.Shigemoto,and K.Yamaguchi: "Theoretical study on the geometry dependence of the second hyperpolarizability of allyl cation based on the MLA three-type analysis" Chem.Phys.Lett.in press.

    • Related Report
      1995 Annual Research Report
  • [Publications] M.Nakano,S.Yamada,I.Shigemoto,and K.Yamaguchi: "Dynamic (hyper)polarizability density analysis based on virtual excitation processes:Visuallization of dynamic electron fluctuatabilityof systems under time-depe" Chem.Phys.Lett.(in press).

    • Related Report
      1995 Annual Research Report
  • [Publications] S.Takeda,T.Inabe,T.Mitani,Y.Maruyanmaand K.Ysmaguchi: "ESR Study on the Charge Transfer Complexes of N-Salicylideneanilines containing NHO Hydrogen bond as aDynamic Function" Synthtic Metals,. 70. 1211-1212 (1995)

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      1995 Annual Research Report
  • [Publications] K.Yakushi,I.Shirotani,I.I.Khairullin,Y.Nakazawa,K.Kanoda and S.Takeda: "Characterization of Poly-CuPc Sheet Polymers Synthesized under High Pressure" Synthtic Metals,. 71. 2287-2288 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] S.Nagatomo,S.Takeda,H.Tamura and N.Nakamura: "Crystal Structure and Hydrogen Bonding in One-dimensional chains of 4,5-Dicyanoimidazole and 4,5-Dichloro;midazole." Bull.Chem.Soc.Jpn.68. 2783-3789 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] S.Takeda,F.Kondoh,N.Nakamura and K.Yamaguchi: "Proton Tunneling and Local Symmetry of the Hydrogen Bond in Rb3H(SO4)2." Physica B. (in press).

    • Related Report
      1995 Annual Research Report
  • [Publications] S.Takeda,H.Kataoka,S.Ikeda and K.Yamaguchi: "Rotational Tunneling of Methyl Groups of Sc(CH3COO)3 and Sc(CD3DOO)3." Physica B. (in press).

    • Related Report
      1995 Annual Research Report
  • [Publications] T.Sekikawa,K.Miyakubo,S.Takeda,and T.Kobayashi: "Charge-transfer Effects in a Strongly Hydrogen-bonded System:Potassium Salt of Acetylenedicarboxylic Acid." J.Phys.Chem.(in press).

    • Related Report
      1995 Annual Research Report
  • [Publications] H.Nishide,T.Kaneko,S.Toriu.et.al: "π-Conjugated Polyradicals with Poly(Phenylenevinylene)Skeleton and Their Through-Bond and Long-Range Interaction." Mol.Cryst.Liq.Cryst.271. 131-138 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] S.Yamanaka,T.Kawakami,H.Nagao,and K.Yamaguchi: "Theoretical Studies of Spin Populations on Nitronyl Nitroxide,Phenyl Nitrunyl Nitroxide and P-NPNN." Mol.Cryst.Liq.Cryst.271. 19-28 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] T.Kaneko,D.Yamaki,G.Maruta,and K.Yamaguchi,et.al.: "Ferrom,agnetic Spin CouPling of tert-Butylnitroxide Diradicals through a Conjugated Oligo(1,2-phenylenevinylene)-Coupler." Chem.lett.2783-2789 (1995)

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      1995 Annual Research Report
  • [Publications] H.Nishide,T.Kaneko,T.Nii,K.Katoh,E.Tsuchida,and K.Yamaguchi: "Through-Bond and Long-Range Ferromagnetic Spin Alignment in a π-Conjugated Polyradical with a Poly(phenylenevinylene)Skeleton." J.Am.Chem.Soc.117. 548-549 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] S.Yamanaka,T.Kawakami,S.Yamada,H.Nagao,M.Nakano,K.Yamaguchi: "Theoretical studies of Spin density populations on nitroxide and nitrunylnitroxide derivatives." Chem.Phys.lett.240. 268-277 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] S.Yamanaka,M.Okumura,H.Nagao,K.Yamaguchi.: "CASSCF and CASPT2 calculations of hole-doped amines with triplet carbene groups.Possibilities of high-Tc organic ferrimagnets." Chem.Phys.lett.233. 88-94 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] K.Kawakami,S.Yamanaka,W.Mori,K.Yamaguchi,A.Kajiwara,M.Kamachi: "No-overlap and orientation principle for ferromagnetic interactions between nitroxide group." Chem.Phys.lett.235. 414-421 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] S.Yamanaka,T.Kawakami,M.Okumura,K.Yamaguchi.: "CASSCF and CASPT2 calculations of hole-doped polycarbenes.Possibilities of organic fettomagnetic conductors and metals." Chem.Phys.lett.233. 257-265 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] A.Kagiwara,W.Mori,M.Sorai,K.Yamaguchi,and M.Kamachi: "Magnetic properties of nitroxide radicals as the side group of methacrylate or methacrylamide" Mol.Cryst.Liq.Cryst.272. 67-74 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] T.Kawakami,S.Nakayama,H.Nagao,W.Mori,M.Kamachi,K.Yamaguchi.: "Theoretical approches to molcular magnetsm II:no-overlap andorientation principes for ferromagnetic interactions" Mol.Cryst.Liq,Cryst.272. 117-129 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] M.Fujiwara,W.Mori,K.Yamaguchi.: "Iron-schiff base magnetic polymers.synthesis and characterization" Mol.Cryst.Liq,Cryst.274. 175-178 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] W.Mori,and K.Yamaguchi: "Spin glass behavior of synthetic atacamite Cu2Cl(OH)3" Mol.Cryst.Liq,Cryst.274. 113-118 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] M.Kamachi,A.Kajiwara,W.Mori,snd K.Yamaguchi: "Magnetic behavior of polymers conttaining paramagnetic metalloporphyrins" Mol.Cryst.Liq,Cryst.273. 117-124 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] M.Yamashita,K.Inoue,T.Ohisi,T.Takeuchi,T.Yoshida,and W.Mori: "Low-dimension magnetic system with S=1,2/3,2" Mol.Cryst.Liq,Cryst.274. 25-32 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] H.Tamura,S.Tamaka,G.Matsubayashi,W.Mori: "Crysral structure and magnetic properties of[NMe4]4[Mn2(C3S5)4](C3S52-=4,5-dimercapto-1,3-ditheiole-2-thionate)" Inorg.Chimi.Acta.232. 51-55 (1995)

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      1995 Annual Research Report
  • [Publications] T.Maikawa,M.Nakano,R.Arakawa,G.Matsubayashi,W.Mori: "Preparation and spectroscopic properties of the [Re2(C3S4Se)5]2-anion complex and electrical conductivities of the oxidized species[C3S4Se2-=1,3-dithiole-2-selone-4,5-dithiolate(2-)]" Z.Naturforsch. 50b. 1748-1752 (1995)

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      1995 Annual Research Report
  • [Publications] M.Mikuriya,K.Nakadera,T.Tokii,and W.Mori: "Synthesis and characterization of tetranuclear manganese(III)complexes with 2,6-bis(salicylidenaminomethyl)-4-metheylphenol" Bull.Chem.Soc.Jpn.68. 3077-3083 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] S.YNO,T.Inagaki,W.Mori,K.Yamaguchi,I.Kinoshita,et.al.: "A novel tetranuclear iron(III)complex having L-alanine bridges and an unprecedented(Fe4(O2H))core" Chem.lett.61-62 (1996)

    • Related Report
      1995 Annual Research Report
  • [Publications] M.Fujiwara,S.Takamizawa,W.Mori,and K.Yamaguchi: "Molecular design and synthsis of ferro-and ferri magnetic inorganic polymers and complexes with tetrathiolate ligands" Mol.Cryst.Liq.Cryst.(in press).

    • Related Report
      1995 Annual Research Report
  • [Publications] D.Yamaki,S.Yamada,G.Maruta,T.Kawakami,W.Mori,and K.Yamaguchi: "Theoretical calculation of effective exchange integrals for one-and two-dimensional poly(phenylenemethylene)systems.Possibilities of organic ferrro-and ferri-magnetic solids" Mol.Cryst.Liq.Cryst.(in press).

    • Related Report
      1995 Annual Research Report
  • [Publications] G.Maruta,D.Yamaki,W.Mori,K.Yamaguchi,and H.Nishide.: "Theoretical study of effectiveexchange integrals for ferromagnetic phenylenevenilene polymers with nitroxides.Possibilities of organic ferro-or ferri-magnetic solids." Mol.Cryst.Liq.Cryst.(in press).

    • Related Report
      1995 Annual Research Report
  • [Publications] T.Kawakami,A.Oda,W.Mori,K.Yamaguchi,et.al.: "Theoretical studies of the ferromagnetic intermolecular interaction of p-carboxylate phenyl nitronyl niroxide" Mol.Cryst.Liq.Cryst.(in press).

    • Related Report
      1995 Annual Research Report
  • [Publications] N.Ueyama,K.Taniuchi,T.Okamura,A.Nakamura,H.Maeka,S.Emura: "Effect of the NH…S Hydrogen Bond on the Nature of Hg-S Bonding in Bis[2-(acylamino)benzenethiolato]mercury(II)and Gis[2,6-bis(acylamino)benzenethiolato]mercury(II)Complexes" Inorg.Chem.(in press).

    • Related Report
      1995 Annual Research Report
  • [Publications] 中村 昇: "有機金属化学辞典 遷移金属 5.ジルコニウム、ハフニウム" 朝倉書店, 54 (1996)

    • Related Report
      1995 Annual Research Report
  • [Publications] H.Oku,N.Ueyama,M.Kondo,A.Nakamura: "Oxygen Atom transfer Systems in Which the (μ-Oxo)dimolybdenum (V)Complexe For-mation Does Not Occurs:Synteses,Structures,and Reactivities of Monooxo…" Inorg.Chem.33. 209-216 (1995)

    • Related Report
      1994 Annual Research Report
  • [Publications] W.・Y.Sun,T.Ueno,N.Ueyama,A.Nakamura: "19F NMR Investigation of Cobalt(11)Complexes with Cysteine-Containing Peptide Ligands" Magn.Reson.Chem.33(in press). (1995)

    • Related Report
      1994 Annual Research Report
  • [Publications] N.Ueyama,M.Kondo,H.Oku,A.Nakamura: "Structure and Properties of(NEt4)2[MoIVO(α,2-toluenedithiolato)2]" Bull.Chem.Soc.JPn.67. 1840-1847 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] H.Oku,N.Ueyama,A.Nakamura,Y.Kai,N.Kanehisa: "The Stabilization Dioxomolybdenum(VI)Dithiolene Complex by the Electron Withdrawing Substituent on the Dithiolene Ligand:Comparison of-" Chem.Lett. 607-610 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] H.Zaima,N.Ueyama,H.Adachi,A.Nakamura: "IH,13C,113Cd NMR Study of Cd(11) Complexes of a blocked Peptide,Z-Cys-Ala-Pro-His-OMe in Organic Solvens" Biopolymers. (in press). (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] N.Ueyama,H.Oku,T.Okamura,A.Nakamura,A.Kajiwara M.Kamachi: "ESR Study of(MoVO)3+and(WVO)3+Thiolate or Selenolate Complxes" Magn.Reson Medicine. 6. 216-217 (1995)

    • Related Report
      1994 Annual Research Report
  • [Publications] K.Mashima,K.Kusano,Y.Matsumura,N.Sato,et al.: "Cationic BINAP-Ru(11)Halide Complexes:Highly efficient Catalysts for Stereoselective Asymmetric Hydrogenation of α-and β-Functionalized Ketones." J.Org.Chem.59. 3064-3076 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] X.Zhang,K.Mashima,K.Koyano,N.Sayo, et al.: "Synthesis of Partially Hydrogenated BINAP Ligands and their APPlication to Catalytic Asymmetric Hydrogenation." J.Chem.Soc.,Perkin Trans.I,. 2309-2322 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] K.Mashima,Y.Nakayama,A.Nakamura,N.Kanehisa,et al.: "A new convenient preparation of monocyclooctatetraenyl-lanthanide complexesfrom metallic lanthanides and oxidants." J.Organomet.Chem.,. 473. 85-91 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] K.Mashima,H.Sugiyama,H.Yasuda,N.Kanehisa,et al.: "Diene Complexes of Calcium and Strontium:The First Crystal Structures of Calcium and Strontium-diene Complexes,M(2,3-dimethyl-1,4-diphenyl-1,3-butadiene)(thf)" J.Am.Chem.Soc. 116. 6977-6978 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] K.Mashima,Y.Nakayama,H.Fukumoto,N.Kaneehisa,et al: "Selective Formation of Ln(11)and Ln(111)Thiolate Complexes Derived From Metals and Organic Disulfides:Crystal Structures of[Ln(SAr)(m-SAr)(thf)3]_2(Ln=Sm,Eu)," J.Chem.Soc.,Chem Commun.,. 1847-1848 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] K.Mashima,H.Sugiyama,and A.Nakamura,: "Diene Complex of Lanthanum:The Crystal Structure of a Diene-bridged Dilanthanum Complex,[LaI_2(thf)_3(m-h^4:h^4-PhCH=CHCH=CHPh)laI_2(thf)_3}." J.Chem.Soc.,Chem Commun.,. 1581-1582 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] K.Mashima,S.Fujikawa,H.Urata,E.Tanaka,et al.: "Polyethylene with Extremely NarrowPolydispersity:New Catalyst Systems of Nb(h5-C5Me5)(h4-diene)C12/MAO and Nb(h5-C5Me5)(h4-diene)2/MAO" J.Chem.Soc.,Chem.Commun.1623-1624 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] W.A.Herrmann,M.J.A.Morawietz,K.Mashima,et al: "Cyclische Amine als Intramolekulare Hilfsliganden in p-Komplexen des Titans." J.Orgnomet.Chem.486. 291-295 (1995)

    • Related Report
      1994 Annual Research Report
  • [Publications] K.Mashima,S.Fujikawa,Y.Tanaka,Y.Urata,et al.: "Living Polymerization of Ethylene Catalyzed by Diene Complexes of Niobium and Tantalum,M(h5-C5Me5)(h4-diene)X2andM(h5-C5Me5)(h4-diene)2(M=Nb and Ta)" Organometallics,. (in press).

    • Related Report
      1994 Annual Research Report
  • [Publications] K.Mashima and A.Nakamura,: "Living PoIymerization of Ethyleneby Organometallic Complexes(inJapanese)." Shokubai. 572-579 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] K.Mashima: "Diene Complexes of Group2-5Metals:Synthesis,Structure,and Reactivity(inJapanese)." J.Synth.Org.Chem.Jpn.52. 1053-1062 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] A.Nakamura and K.Mashima: "Recent Rrogress in the Chemistry of l,3-Diene Complexes of Niobium and Tantalum." J.Organometal.Chem. 500(in press).

    • Related Report
      1994 Annual Research Report
  • [Publications] T.lnabe,I.Luneau,T.Mitani,Y.Maruyama,S.Takeda: "Prpton Transfer in the N-(2-Hydroxy-1-naphthylidene)-1-pyrenylamine and N,N^1-Di(2-hydroxy-1-naphthylidene)-p-phenylenediamine Crystals." Bull.Chem.Soc.Jpn.67. 612-621 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] B.Nagasaka,S.Takeda,N.Nakamura: "Residual Dipole Splittings in 13C- CP/MAS NMR Spectra Due to Quadrupolar Halogen Nuclei in Uracil Halides." Chem.Phys.Lett.222. 486-492 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] K.Miyakubo,S.Takeda,N.Nakamura: "Crystal Structure of Potassimum Hydrogen Terephtalate;Symmetric Hydrogen Bond in One-Dimensional Chain." Bull.Chem.Soc.Jpn.67. 2301-2303 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] T.Ohtsubo,Y.Nakayama,T.Izumikawa,S.Takeda,et al: "Precise Measurement of the Quadrupole Moment of β-Emitting 12B." Hyperfine interactions. 88. 25-33 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] S.Tskeda,H.Kataoka,K.Shibata,S.Ikeda,T.Matsuo, et al.: "Quantum Precession of HCI Moleculein Hydroquinone Clathrate." PhysicaB. 202. 315-319 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] S.Nagatomo,S.Takeda,K.Yamaguchi,M,Iwata et al.: "New Cation Diffusing Phase of(CH3NH3)5Bi2CIll" J.Phys.Soc.Jpn.67. 391-394 (1995)

    • Related Report
      1994 Annual Research Report
  • [Publications] S.Takeda,T.Inbe,T.Mitani,Y.Maruyama,K.Yamagychi: "ESR Study on the Charge Transfer Complexs of N-Salicylideneaniline Containing NHO Hydrogen Bond as a Dynamic Function" Synthetic Metals. (in press).

    • Related Report
      1994 Annual Research Report
  • [Publications] K.Yakusi, I.Shirotani,I.I.Khairullin,S.Takeda,et al.: "Characterization of Poly-CuPc Sheet Polymers Synthesized under High Pressure" Synthetic Metals(in press).

    • Related Report
      1994 Annual Research Report
  • [Publications] M.Fujiwara,W.Mori,and K.Yamagauchi20GB27:Magnetic Properties of Hetero Polymetallic Systems.: Synthetic Metals (in press). (in press).

    • Related Report
      1994 Annual Research Report
  • [Publications] W.Mori,snd K.Yamaguchi: "Spin Glass Behavior of Synthetic Atacamite,Cu2Cl(OH)3" Molecular Crystals and Liquid Crystals. (in press).

    • Related Report
      1994 Annual Research Report
  • [Publications] S.Yamanaka,M.Okumura,M.Nakano and K.Yamaguchi: "EHF THOERY OF CHEMICAL REACTIONS Part4.UNO-CASSCF,UNO CASPT2 and R(U)HF coupled-cluster(CC)wavefunctions" J.Mol.Structure(Theochem). 310. 205-218 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] M.Nakano,K.Yamaguchi and T.Fueno: "Coupled-Hartree-Fock calculations of the hyperpolarizabilities for mixed and segregated charge-transfer clusters" Nonlinear Optics. 6. 289-296 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] H.Takahashi,H.Ohoyama,T.Kasai,K.Kuwata,M.Nakano: "A theoretical study on the electron exchange mechange in the CF3H+Ar(3P)→CF3*+H+Ar reaction" Chem.Phys.Lett.224. 445-450 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] M.Nakanq and K.Yamaguchi: "THEORETICAL STUDIES FOR THIRD-ORDER HYPERPOLARIZABILITIES OF ALTERNANT AND CONDENSED-RING CONJUGATED SYSTEMS I" Mol.Cryst.Liq.Cryst.A255. 139-148 (1994)

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      1994 Annual Research Report
  • [Publications] M.Nakano and K.Yamaguchi: "Numerical Liouville approach.A calculation method of nonlinear optical susceptibilities of N-state systems" Phys.Rev.A. 50. 2989-3004 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] H.Takahashi,H.Ohoyama,T.Kasai,K.Kuwata,M.Nakano: "Orientation dependences of transition matrix elements for energy transfer reaction CF3H+Ar(3P)→CF3^*+H+Ar reaction" Chem.Lett. 1985-1988 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] M.Nakano,K.Yamaguchi,Y.Matuzaki,K.Tanaka and T.: "Numerical Liouville approach;Third-order nonlinear optical susceptibilities in THG,EFISH and" Chem.Phys. Lett.233. 411-419 (1995)

    • Related Report
      1994 Annual Research Report
  • [Publications] M.Nakano,K.Yamaguchi,Y.Matuzaki,K.Tanaka and T: "Numerical Liouville approach;Formulation of third-order nonlinear optical susceptibilities" J.Chem.Phys.102. 2986-2995 (1995)

    • Related Report
      1994 Annual Research Report
  • [Publications] M.Nakano, K.Yamaguchi,Y.Matuzaki,K.Tanaka and T.: "Numerical Liouville approach;Three-type analysis of virtual excitation processes of third-order nonlinear optical spectra in third-harmonic generation" J.Chem.Phys.102. 2996-3004 (1995)

    • Related Report
      1994 Annual Research Report
  • [Publications] M.Nakano,K.Yamaguchi: "Numerical Liouville approach;Intensity dependent transient linear and nonlinear optical susceptibilities" Chem.Phys.Lett.(in press).

    • Related Report
      1994 Annual Research Report
  • [Publications] M.Nakano,S.Yamada and K.Yamaguchi20GB39:Theoretical Studies on Hyperpolarizabilitiues of Nitroxide Species I.: Synt.Metals,. (in press).

    • Related Report
      1994 Annual Research Report
  • [Publications] Y.Matuzaki,M.Nakano, K.Yamaguchi,K.Tanaka and T.: "Second hyperpolarizabilies of π-conjugated silicon-ring polymers" Synt.Metals. (in press).

    • Related Report
      1994 Annual Research Report
  • [Publications] A.Nakamura,N.Ueyama: "Iron-Sulfur Models of Protein Active Sites in Encyclopedia of Inorganic" R.B.King,John Wiley, 1883-1896 (1994)

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      1994 Annual Research Report
  • [Publications] A.Nakamura,N.Ueyama: "Chemical Functions of Single and Double NH-S Hydrogen Bond in Iron-Snlfur Metalloproteins;-in Nuclear Magnetic Resonance of Paramagnetic Molecules" NATO ASI Series(in press), (1995)

    • Related Report
      1994 Annual Research Report

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Published: 1994-04-01   Modified: 2018-03-28  

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