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[Publications] A.E.Dorigo: "Theoretical Studies of Nucleophilic Additions of Organocopper Reegents to Acrolein.Rationelization of the Difference in Regusselectivity in the Reactions of Methylcoppes and Methyllithuim" J.Am.Chem.Soc.111. 4635 (1989)
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[Publications] A.E.Dorigo: "Stereoselectivity of the Nucleoplilia Addition of Organocopper Reagonts to Chirl α,β-Unsatusated Canlonyl Compounds.Ab lnitis Molecular Onbital Studies of Steuic and Electronic Effects." J.Am.Chem.Soc.111. 6524 (1989)
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[Publications] H.Nakatsuji: "Exponentially generated Ware Functions.Computational Algorithms and Applications to the ground,.Excited loniged and Anion States of HF,CO and C_2 at Some lntesnuclear Distance"
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[Publications] Y.Mizukami: "Potential Energy Caues of the ground,Excited and loniged States of Ar_2 by SACLSAC-CI Theory"
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[Publications] H.Nakatsuji: "Excited and loneged States of RuO_4 and RuO_4 Studied by SAC and SAC-CI Theoris" Intern.J.Quantum Chem.
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[Publications] Y.Mizukami: "Potential Energy Curves of the Ground,Excited and loniged States of KY_2 Studied by SAC/SAC-CI Theovy"
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[Publications] H.Nakatsuji: "Collision lnduced Absorption of CeXe Studied by the SAC-CI Potential Energy Curves of the Ground and Excited States"
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[Publications] H.Nakatsuji: "Theoretical Study of the Electronic Structues and Exited States of MoO_4ーn Sn^<2->(n=0-4)and MnSe_4^<2->"
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[Publications] H.Nakatsuji: "Theoretical Study on Metal NMR Chemical Shifts.Molybdenum Complexes" lnorg.Chem.
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[Publications] H.Nakatsuji: "Theoretical Study on Metal NMR Chemical Shifts Tin Complexes"
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[Publications] H.Nakatsuji: "Theoretical Study on Metal NMR Chemical Shifts Tintanium Complexes"
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[Publications] H.Nakatsuji: "Electronic Ougin of ^<95>Mo-NMR Chemical Shift in Some Molybdenum Complexes Relationship between Excitation and Chemical Shift"
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[Publications] H.Nakatsuji: "Theoretical Study on the Moleculan and Dissociative Chemisorption of Oxygen Holecule on a Ag Surface"
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[Publications] H.Nakatsuji: "Theoretical Study on the Chemisorption of Oxygen Molecul on a Pd Surface"
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[Publications] K.Yamashita: "A Theoretical Study of Transition State Spectroscopy:Laser Dreued Potential Energy Surface and Surface Hopping Traiectory Calculations on Kt Nacl and Nat KCL" J.Chem.Phys.91. 7477 (1989)
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[Publications] M.B.Coolidge: "Ab lmition MCSCF and CI Calcutions of the Singlet-Friplet Energy Differences in Oxyallyl and in Dimethyloxyallyl" J.Am.Chem.Soc.112. 0000 (1990)
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[Publications] K.Yamashita: "Ab lnitio Potential Energy Surfaces of Charge-Fransfer Reactions:F^++CO→F+CO^+" J.Chem.Phys.92. 0000 (1990)
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[Publications] B.Weis: "Theoretical Potential Energy and Electronic Dipole Moment Functions of HCF(XA and a^3A^<11>)" J.Chem.Phys.
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[Publications] K.Yamashita: "Theovetical Study of Laser-Catalyged Na+HCL Reaction:A Possibility of Trensition State Spectroscopy" Chem.Phyo.Lett.
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[Publications] S.Kato: "A theoretical study on the mechanism of charge transfer state frmation of A-(N_1N-dimethylanino)Benzonitile in an agueous solution" J.Chem.Phrp.
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[Publications] K.Mitsuke: "Observation of low-lying electronic states of(CO_2)_2^+ by using photoelection-photoion coincidence measarements." J.Phys.Chem.
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[Publications] Y.Takahara: "Potential Energy Curves of Fluorice,Nitrogen and Ethylene Calculated by Approximately Projected Unsestricted Hertree-Fock and Mller-Preddet Pertusbation Methods" Chem.Phys.Lett.157. 211-216 (1989)
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[Publications] Y.Takahara: "Potential Energy Curves for Transition Metal Dimeus and Complexes Calculated by the Approximately Projected Unrestricted Hariee-Fock and Mpller-Plesset Pertuslotion(APUHP)Hethods" Chem.Phys.Lett.158. 95-101 (1989)
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[Publications] K.Yamaguchi: "Ab initio Calculation of Effective Exchange lntegrals.Possibilites of Superparamagnetic.Mictomagretic and Amorphous Fersonagnetic ltate for Aggregates on Aromatic Free Radicals and Polymer Radicals" Mol.Cryst.Liq.Cryst.176. 151-161 (1989)
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[Publications] K.Yamaguchi: "An Effective Spin Namiltonien for Clusters of Organic Radicals.Application to Allyl Radical Clusters" Chem.Phys.Lett.159. 465-471 (1989)
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[Publications] T.Fueno: "Approxinately Projected UHF Mpller-Plesset(APUMP)Calculations of the Potential Enegy Pnofiles for the Reaction of the Fiplet Oxygen Atom to Ethylene." Chem.Phys.Lett.
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[Publications] T.Fueno: "Conputational Study of the Isomerigations and Fragmentations of the Singlet and Triplet CH_2CH_2NH Diradicals" Bull.Cem.Soc.Jpn.
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[Publications] M.Tsuda: "Atomic Layer Epitaxial Growth Mechancsm of a Galliam Layer on the (100)As Surface of GaAs Crystals in MOVPE" J.Crystal Growth. (1990)
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[Publications] M.Tsuda: "On the primery process in Plasma-Chemical and Photochemical Vapor Deposition From Silane III.Mechanism of the Raditive Species Si^*(Po)formation" J.Chem.Phys.91. 6822-6829 (1989)
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[Publications] H.Fujimoto: "A Study of Orbital lnteractions in the Reactions of Bicyclo〔1.1.0〕butane" J.Mol.Str.198. 267-275 (1989)
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[Publications] H.Fujimoto: "A Theortical Study on the Electrophilic Strergth of Singlet Carbenes in the addition to C=C Double Bonds" Gazzetta Chimica ltaliana.
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[Publications] S.Imagaki: "Functionaliyation of Methyl Group of 2-Methylindole by Direct Generation of a C,N-Diarion" J.Chem.Soc.Perkin I Commun.
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[Publications] S.Imagaki: "Mechanism of Delocaligation of σ-Electrons from Bonds to Bonds Conformationally Dependent.Delocaligation between Geminal Bonds in Antiperiplanar Effects" Bull.Chem.Soc.Jpn.
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[Publications] S.Imagaki: "Preference of be/4P,be/5P,and be/6P Conjugation in Determining Relative Stability of Condensed Five-Menbered Heteroaromatic lsomers"
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[Publications] S.Inagaki: "Conformational Adaptation:A New Aspect of Substituent Effects"
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[Publications] S.Okada: "A Mechamistic Study of a Gas-Phase lon/Molecule Reaction between CH_2NH_2^+ and CH_9" Bull.Chem.Soc.Apn.62. 2129-2137 (1989)
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[Publications] S.Okada: "The Entropy lnhibition of a Gas-phase S_N2 Reaction" J.Chem.Soc.,Chem.Commun.610-612 (1989)
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[Publications] S.Yamabe: "Bridged Radical Intermediates of Aryl〔1,2〕Rearrangements" Chem.Lett.1523-1526 (1989)
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[Publications] S.Yamazaki: "Photochemical Dimerization of a Benzoselenete Derivative" J.Org.Chem.54. 240-243 (1989)
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[Publications] N.Niwa: "An Oxygen Exchange of Arsenate and Alkylarsonete lons with Water" Bull.Chem.Soc.Jpn.62. 2240-2244 (1989)
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[Publications] S.Yamazaki: "Synthesis and Unusual Selenium Extrusion Reaction of a Cyclic Triselenide" J.Org.Chem.55. 263-269 (1990)
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[Publications] K.Hiraoka: "Stabilities of the N_3^+(N_2)_n Cluster Ions eith n=1-11" Chem.Phys.Lett.154. 139-142 (1989)
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[Publications] K.Hiraoka: "How are nitrogen molecules bound to NO_2^+ and NO^+?" J.Chem.Phys.90. 3268-3273 (1989)
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[Publications] K.Nakamura: "Second-order Gahn-Teller Effect of Cyclobutadiene in Low-lying States An MCSCF Study" Chem.Phys.136. 67-77 (1989)
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[Publications] Y.Osamura: "A Theoretical Study of the Photodissoriation of Acetylene in its Lowest Excited Siglet State" Chem.Phys.Lett.164. 205-209 (1989)
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[Publications] K.Hashimoto: "Analytic Energy Gadients with respect to Orbital Exponents for Molecular SCF Wavefunctions" Chem.Phys.Lett.164. 353-358 (1989)
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[Publications] Y.Osamura: "Analytic Exprission of the Second Derivative of Electronic Enegy for Full Configuration lnteraction Wave Functions" Theo.Chim.Acta. 76. 113-124 (1989)
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[Publications] K.Hashimoto: "Molecular Orbital Study on the Mechanism of Oxidation Process of a Besyllium Atom in Acidic Solution" J.Am.Chem.Soc.
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[Publications] T.Akasaka: "Photochemical Formation of Peroxidic Internediates and Theui Stmctures in a Cryogenis Oxygem Matrix" Nippon Kagaku Kaishi. 1440-1446 (1989)
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[Publications] H.Yamataka: "Electron Transfer in the Reaction of a Nonstabilized Ylede with Bengaldehyde" Tetrahedron Lett.30. 353-356 (1989)
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[Publications] S.Nagase: "Theoretical Study of a Silylene-Oxygen Adduct.Is a Silylene Oxide Structure (H_2SiOO)Kinetically Stalle in the Singlet State." Chem.Phys.Lett.163. 23-28 (1989)
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[Publications] T.Kudo: "The Cyclotrisilane Radical Cation and its Ring-Opered Isomers.A Theoretical Study of Si_3H_6^+" Chem.Phys.Lett.164. 217-224 (1989)
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[Publications] W.Ando: "Formation of 1,2-Dioxolane in the Singlet Oxygenation of a Silicon-Silicon σ-Bond:Peroxonium lon Intermediate" Thtrahedron Lett.30. 6705-6708 (1989)
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[Publications] S.Nagase: "Theoretical Study of Bicyclo〔2,2,0〕hexaplumbane.A Very Flexible and Little Strained Pb Skeletone Compared with C.Si,Ge,and Sn Skeletons" J.Chem.Soc.,Chem.Commun.
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[Publications] S.Nagase: "Unprecedentedly Short Sn-Sn and Pb-Pb Phantom Bonds Between Formally Nonbonded Atoms.A Theoretical Study" J.Am.Chem.Soc.
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[Publications] H.Yamataka: "A Thoeoretical Study on the Origin of Cis-Selective Oxaphosphetone Formation in the Withing Reaction of Noustabilzed Ylide" Tetrahedion Lett.
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[Publications] A.Tachibana: "Double Proton Transffe in The Dihydroxyethlone-Glyoxal Complex" J.Mol.Structure. 200. 207-217 (1989)
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[Publications] A.Tachibana: "A String Model for the Chemical Reaction Coordinate in Static External Fields" Theor.Chim.Acta.75. 404-416 (1989)
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[Publications] A.Tachibana: "Theory of “Hydroger" Bonding:Vibronic Effect in Proton Dynamics" J.Phys.Chem.93. 220-225 (1989)
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[Publications] A.Tachibana: "String Model for the Rate.Constant of Nonadiabatic Solvation in the Nydration Reaction of Carbon Dioxide"
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[Publications] A.Tachibana: "Reaction Esgodography for Silicon Nitride Bond Formation in the Laser Dniren Gas Phase Reaction"
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[Publications] E.Kawai: "Uacuum UV Photoabsorption Spectra of Silane and Disilare:Molecular Onbital Calculation of Electronic States" Gapanees J.Appled Phys.28. 247-251 (1989)
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[Publications] K.Hirao: "S_N2 Reaction in the Gas Phase.Transition states for the reaction:Cl^-+RBr=ClR+Br- where R=CH_3,C_2Hs and iso-C_3H_7 from ab initio calculation and comaison with experiment" Can.J.Chem.67. 1261-1267 (1989)
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[Publications] H.Wasada: "Theoretical Study of the Pseudovotation Reaction of penta-Coordinated Phosphours Trigonal Bipyramidal Compounds:PH_5,PF_5,PF_1H,PH_3F_2,PF_4CH_3,PF_3(CH_3)_2,PO_5H_4,PO_2C_2H_7 and PO_3H_9"
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[Publications] S.Obata: "Vibrational Analysis of the Protoneted Ethane C_2H_7^+"
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[Publications] T.Koga: "Pathologic invesion of core orbitals in approxinate Hartree-Fock calcslations" J.Chem.Phys.90. 7313-7316 (1989)
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[Publications] H.Tanaka: "Potential energy surfaces for water dynamics:Reaction coordinates,transition states.and novmal mode analyses" J.Chem.Phys.91. 6318-6327 (1989)
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[Publications] M.Aoyagi: "The freguency increase of the C=C Ag stretching mode of polyenes in the Z'Ag state;Ab-initio MCSCF study of Butadie,hexatriene and Octatetreene" J.Phys.Chem.(1990)
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[Publications] H.Toh: "Whether Zn^<2+> for the Polymerase System was Selected Inevitably on by Nistorcal Accident" J.Theoret.Biol.136. 79-85 (1989)
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[Publications] S.Tani.: "Kinetic Approach with ab initio MO Method on lonic Selectivity and Size in Sodium Channel" J.Theor.Biol.140. 519-536 (1989)
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[Publications] T.Ushio: "An Analysis of the Through=Bond Interaction Using the Localgied Molecular Onbitals with Ab Initio Calculations…V HOMO Energy Levels of Many Propellane Compounds" Tetrahedron. 45. 7743-7758 (1989)
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[Publications] S.Hayashi: "A Study using a Through fsace/Bond Interaction Analysis for the Band Structunes of Sulstituted Polyacetylene-Be Systems" Synthetic Metals.
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[Publications] K.Seki: "Electronic Structure of Poly(tetrafluovoethylene)Studied by UPS,VUV Absorption,and Band Calculations" Phys.Scripta.
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[Publications] K.Saito: "The Thermal Unimoleculer Decomposition of 3,4-Dihydre-2H-Pyron behind Reflected Shock Waves" Chem.Phys.Lett.
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[Publications] K.Saito: "On the Thermal Unimolecular Decomposition of Propynal" Chem.Phys.Lett.
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[Publications] K.Honda: "Monte Carlo simulations and thermodynamic properties of liguid water" Mol.Simulations.
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[Publications] S.Sakaki: "Electronic Structure and Enhanced Reactivity of Canbon Dioxide Coordinated with Rhodium(I)Complexes.An ab Initio MO Study" Inory.Chem.28. 103 (1989)
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[Publications] S.Sasaki: "Ab Initio MO Study of CO_2 Insertion into a Cu^I-CH_3 Bond Critical Differnces from CO_2 Insertion into a Cu^I-H Bond" Organometalics. 8. 2970 (1989)
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[Publications] P.N.Skanche: "A Theoretical Study of the Thermal Degenerate Rearrangement in Methylenecyclobutane" J.Am.Chem.Soc.111. 1559-1563 (1989)
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[Publications] N.Koga: "Ab inito Molecular Orbital Studies of Intermediates and Transition States of Organomotallic Elementary Reactions and Homogeneous Catalytic Cycles" Topics in Physical Organometallic Chemistry. 3. 1-35 (1989)
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[Publications] D.Gayatilaka: "Analyticl Second Derivatives with Model Potentials at SCF and MP2 Lovel" Chem.Phys.Lett.163. 151-156 (1989)
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[Publications] T.Yamaguchi: "Facile Regioselective Ligand Substitution for the In-Plane Bridging Acetates in Octakis Cu-acetate-O_1O^1 tetnaplatinum(II)" lnorg.Chem.28. 4311-4312 (1989)
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[Publications] N.Koga: "Ab initio Potential Enegy Sirface and Electron Conelation Effect in CH Activetion of CH_4 by Coordinatively Unsaturatea RhCl(PH_3)_2" J.Phys.Chem.
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[Publications] N.Koga: "Orgin of Exo Selectivity in Norbornene.An Ab Initio MO Study" J.Phys.Ory.Chem.
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[Publications] S.Sakai: "Theoretical Studies of the Inseition Reactions of Atomic Carbon and Silicon into Methane and Silane" J.Phys.Chem.93. 1888-1893 (1989)
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[Publications] S.Sakai: "Theoretical Study of the Bengoyl oxy Radical" Bull.Chem.Soc.Gapan.
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[Publications] S.Sakai: "Abnormally Narrow C-M-C Angle in M(L_1)L_2 Complexes(M=Si,Al,Mg.Ma;L_1 and L_2=CO,CN)" J.Am.Chem.Soc.
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[Publications] H.Kobayashi: "Ab Initio MO Study on Adsorption of Hydrogen Molecule onto MgO(100)Surface" J.Phys.Chem.
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[Publications] 米澤貞次郎: "電子論による分子設計(化学工学進歩シリ-ズNo.23「分子化学工学」)" 愼書店, 32 (1989)
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[Publications] K.Morokuma: "Potential Enegy Surfaces of Several Elementary Chemical Reactions in“Supercomputer Algovthms for Reactivity,Dynamics and Kenetics of Small Molecules"" Kluwer Academic, (1989)
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[Publications] M.Nakano: "CNDO/S-CI Calculations of Hyperpolarizabilities I.Subotituted Bengenes,Polyeza Compounds and Related Species,in “Nonlinear Optics of Orgasuc Semiconductons"" Springer-Verlag, 3 (1989)
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[Publications] M.Nakano: "CNDO/S-CI Calculations of Hyperpolarizabilities II.Clusters of Formaldehyde,Vrea and Nitrobengene in “Nonlinear Optics of Orgasuc Semiconductons"" Spriger-Verlag, 4 (1989)
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[Publications] 山辺信一: "入門フロンティア軌道論" 講談社, (1989)
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[Publications] K.Hirao: "The SCF Theory.The Clustei Expansion of the Wsvefunction Formalism" Elsevier,
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[Publications] 大峰巖: "溶液のダイナミックスと溶液内化学反応" 技術出版, 6 (1989)
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[Publications] 西本吉助: "分子設計のための量子力学" 講談社, (1989)
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[Publications] S.Sakaki: "Transition metal Complexes of N_2 CO_2 and Semilar Small Molecules Ab-initio MO Studies Their Stereoclemistry and Coordinate.Bonding Natuse" Elsevier,
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[Publications] N.Koga: "Potential Enegy Surface of Olefin Hydrogenation by Wilkinson Catalyst:Comparison Between Trans and Cis lntermediates in“The Challerge of d and f Election.Theory and Comsutation"" American Chemical Soriety, 15 (1989)
