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Dynamics Theory of Chemical Reaction

Research Project

Project/Area Number 04243105
Research Category

Grant-in-Aid for Scientific Research on Priority Areas

Allocation TypeSingle-year Grants
Research InstitutionOkazaki National Research Institutes

Principal Investigator

NAKAMURA Hiroki  OKAZAKI National Research Institutes, Institute for molecular science, Professor, 分子科学研究所, 教授 (10010935)

Co-Investigator(Kenkyū-buntansha) YAMASHITA Koichi  University of Tokyo, Faculty of Engineering, Professor, 工学部, 教授 (40175659)
SAKIMOTO Kazuhiro  Institute of Space and Astronautical Science, Professor, 助手 (60170627)
FUJIMURA Yuichi  Department of Chemistry, Faculty of Science, Professor, 理学研究科, 教授 (90004473)
TACHIBANA Akitomo  Kyoto University, Faculty of Engineering, Professor, 工学部, 助教授 (40135463)
TKATSUKA Kazuo  Nagoya University, Graduate School of Human Informatics, Professor, 人間情報学研究科, 教授 (70154797)
松澤 通生 (松沢 通生)  電気通信大学, 電気通信学部, 教授 (10010943)
Project Period (FY) 1992 – 1995
Project Status Completed (Fiscal Year 1996)
Budget Amount *help
¥72,400,000 (Direct Cost: ¥72,400,000)
Fiscal Year 1995: ¥10,000,000 (Direct Cost: ¥10,000,000)
Fiscal Year 1994: ¥10,800,000 (Direct Cost: ¥10,800,000)
Fiscal Year 1993: ¥26,000,000 (Direct Cost: ¥26,000,000)
Fiscal Year 1992: ¥25,600,000 (Direct Cost: ¥25,600,000)
Keywordsnonadiab.trans. / reaction dynamics / superexcited states / large ampl.motion / laser in duced dynamics / vibvonic interaction / highly excited vibr. / hyperspherical coordinates / レーザー憂起動力学 / 波束動力学 / 高振動励起状態
Research Abstract

Many achievements of were attained in various fields of dynamics.
(1) Various applications of newly completed theory of Landau-Zener-Stueckelberg problem (Nakamura).
(2) Elucidation of quantum dynamics of atom transfer reactions (Nakamura).
(3) Development of a general method for characteristics and dynamics of superexcited states (Nakamura).
(4) Development of a general procedure to dissociation reactions (Sakimoto).
(5) Development of new semiclassical theory for dynamics such as tunneling and chaos (Takatsuka).
(6) Development of a general methodology for laser-molecule interactions (Fujimura).
(7) Development and applications of time-dependent method to clarity dynamics such as photo dissociation (Yamashita)

Report

(5 results)
  • 1996 Final Research Report Summary
  • 1995 Annual Research Report
  • 1994 Annual Research Report
  • 1993 Annual Research Report
  • 1992 Annual Research Report
  • Research Products

    (257 results)

All Other

All Publications (257 results)

  • [Publications] M.Hiyama and H.Nakamura: "Superexcited States of CO Near the First Ionization Threshold" Chem.Phys.Lett.248. 316-320 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] C.Zhu,E.E.Nikitin and H.Nakamura: "Semiclassical Analysis of Resonance First States Induced by a Conical Intersection" J.Chem.Phys.104. 7059-7067 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] V.I.Osherov and H.Nakamura: "Quantum Mechanically Exact Analytical Solutions of a Two-State Exponential Model" J.Chem.Phys.105. 2770-2779 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] C.Zhu and H.Nakamura: "Two-by-Two Diabatic Approach for Multi-Channel Curve Crossing Problems" Chem.Phys.Lett.258. 342-347 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] K.Stefanski,K.Someda and H.Nakamura: "Divergences of the Semiclassical S-matrix Formula in Irregular Scattering" Reports on Mathematical Physics. 38,No.3. 398-418 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] C.Zhu and H.Nakamura: "Semiclassical Theory of Multi-channel Curve Crossing Problems:Landau-Zener case" J.Chem.Phys. 106. 2599-2611 (1997)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] K.Nobusada,K.Moribayashi and H.Nakamura: "Quantum Dynamics of O(^3P)+HCl→OH+Cl:Effects of Reagent Rotational Excitation" Faraday Transactions. (in press). (1997)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] H.Hiyama and H.Nakamura: "Two-Center Coulomb Functions" Comp.Phys.Comm.(in press). (1997)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] H.Hiyama and H.Nakamura: "Gaussian Expansions of the Two-Center Coulomb Functions" Comp.Phys.Comm.(in press). (1997)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] Y.Teranishi and H.Nakamura: "Semiclassical Theory of Time-Dependent Curve crossing Problems" J.Chem.Phys. (in press). (1997)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] H.Nakamura: "Nonadiabatic Transitions:Beyond Born-Oppenheimer" Dynamics of Molecules and Chemical Reactions edited by R.E.Wyatt and J.Z.H.Zhang,(Marcel Dekker Inc.). 473-530 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] H.Nakamura and C.Zhu: "Landau,Zener,Stueckelberg,and All That Now Completely Solved" Comments on Atomic and Molecular Physics. 32. 249-266 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] M.Hiyama and H.Nakamura: "Characteristic and Dynamics of Superexcited States of CO" In"Dissociative Recombination:Theory,Experiment and Application",edited by D.Zaifman,B.Mitchell,B.Rowe and D.Schwalm(World Scientific). 212-215 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] H.Nakamura: "Exact Solutions in Sixty Years-Theory for Nonadiabatic Transitions Governing Chemical Phenomena" Chemistry Today 〔in Japanese〕.No.8. 36-42 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] H.Nakamura: "New Developments of the Theory of Nonadiabatic Transitions" Butsuri 〔in Japanese〕. 51. 829-834 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] H.Nakamura: "Nonadiabatic Transitions at Potential Curve Crossings and New Mechanism of Molecular Switching" J.Korean Phys.Soc. (in press). (1997)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] H.Nakamura: "Theoretical Studies of Chemical Dynamics:Overview of Some Fundamental Mechanisms" Ann.Rev.of Phys.Chem.48(in press). (1997)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] H.Nakamura: "Chemical Reaction Dynamics and Potential Ridge-Beyond the Transition State" in"The Transition State-A Theoretical Approach". (1997)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] J.Takahashi and K.Yamashita: "Ab Initio Studies on the Interstellar Molecules C_3H_2 and C_3H and the mechanism for the neutral-neutral reaction C(^3P)+C_2H_2" J.Chem.Phys.104. 6613-6627 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] S.C.Farantos,H-M.Keller,R.schinke,K.Yamashita and K.Morokuma: "Normal mode and isomerization bending states in HCP:Periodic orbit assignment and spectroscopic signature" J.Chem.Phys.104. 10055-10058 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] H.Shiina,M.Oya,K.Yamashita,A.Miyoshi and H.Matsui: "Kinetic Studies on the Pyrolysis of H_2S" J.Phys.Chem.100. 2136-2140 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] K.Tsuchiya,K.Yamashita,A.Miyoshi and H.Matsui: "Studies of the Reactions of Atomic Sulfur(3P)with H_2,D_2,CH_4,C_2H_6,C_3H_8,n-C_4H_<10> and i-C_4H_<10>" J.Phys.Chem.100. 17202-17206 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] A.Hishikawa,K.Ohde,R.Itakura,S.Liu,K.Yamanouchi and K.Yamashita: "Femtosecond Transition State Dynamics of Dissociating OCS on the excited 1Sigma+Potential Energy Surface" J.Phys.Chem.101(in press). (1997)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] M.Furubayashi,I.Bridier,S.Inomata,N.Washida and K.Yamashita: "Laser Induced Fluorescence of the C_2H_2FO Radical" J.Chem.Phys.(in press). (1997)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] K.Yamashita: "A Time-Dependent Theoretical Approach to Transition State Spectroscopy." in"The Transition State-A Theoretical Approach",ed.by T.Fueno,John Wiley & Sons. (in press). (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] C.Seko and K.Takatsuka: "Rhythmic Hopping in One-Dimensional Crisis Map" Phys.Rev.E54. 956-959 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] H.Ushiyama and K.Takatsuka: "Statistical Redistribution of Trajectories from a Torus to Tori by Chaotic Dynamical-Tunneling" Phys.Rev.E53. 115-123 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] C.Seko and K.Takatsuka: "Non-Ergodicity and Two Sub-Phases in the Coexistence Region in Isomerization Dynamics of Ar7-like Molecules" J.Chem.Phys.104. 8613-8626 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] Kazuo Takatsuka and Chihiro Seko: "A Scrutiny of the Premise of the Rice-Ramsberger-Kassel-Marcus Theory in Isomerization Reaction of an Ar7-type Molecule" J.Chem.Phys.105. 10356-10366 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] K.Takatsuka: "Stationary-State Scattering Theory for Dissociative Photo-detachment on Non-Adiabatically Coupled Potential Surfaces as a Probe of Transition States" Phys.Rev.A55. 347-360 (1997)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] K.Takatsuka and A.Inoue: "Global Representation of Maslov-type Semiclassical Wavefunction and Its Spectrum in a Small Number of Classical Trajectorie" Phys.Rev.Lett.78. 1404-1407 (1997)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] H.Ushiyama and K.Takatsuka: "Semiclassical Study on Multidimensional Effects in Tunneling Chemical Reactioins.Tunneling Paths and Tunneling Tubes" J.Chem.Phys.(in press).

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] T.Kato and Y.Fujimura: "Intermolecular Interaction-induced Quantum beats in femtosecond Time-resolved Light Scattering from Molecules:photon-polarization and inhomogeneous effects" Chem.Phys.202. 95-106 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] Y.Ohtsuki and Y.Fujimura: "Theoretical Study of Bath-induced Coherence Transfer Effects on a Time-and Frequency-resolved Resonant Light Scattering Spectrum.II.Energy Mismatch Effects" J.Chem.Phys.104. 8321-8331 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] K.Amano,H.Umeda and Y.Fujimura: "Control of a Two-dimensional Unimolecular reaction by a Locally Optimized Laser Field" Prog.Crystal Growth and Charact.33. 133-136 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] C.M.Dion,S.Chelkowski,A.D.Bandrauk,H.Umeda and Y.Fujimura: "Numerical Simulation of the Isomerization of HCN by two Perpendicular Intense IR Laser Pulses" J.Chem.Phys.105. 9083-9092 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] H.Kono,A.Kita,Y.Ohtsuki and Y.Fujimura: "An Efficient Quantum Mechanical Method for the Electronic Dynamics of the Three-Dimensional Hydrogen Atom Interacting with a Linearly Polarized Strong Laser Pulse" J.Com.Phys.130. 148-159 (1997)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] Y.Ohtsuki,T.Kato,Y.Fujimura and S.H.Lin: "Adiabatic Theory of Laser-Induced Vibrational Predissociation of Physisorbed Molecules:Application to a CO/NaCl System" J.Chem.Phys.106. 4339-4352 (1997)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] K.Sakimoto: "Isotope Variations of Excahange and Dissociation Reaction in Collinear He+H_2^+" Chem.Phys.Lett.248. 414-419 (1996)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] K.Sakimoto: "Isotope Effect of Quantum Mechanical Collinear He+H_2^+ Reaction at Energies Below and Above the dissocaition Threshold" J.Chem.Soc.Faraday Trans.93. 790-800 (1997)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] K.Sakimoto and K.Nobusada: "Three Dimensional Calculations of Collision-Induced Dissociation in He+H_2^+ Using Infinite-Order-Sudden Approximation" J.Chem.Phys.106(in press). (1997)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] K.Sakimoto: "Sudden Approximation for Collision Induced Dissociation" J.Phys.B:At.Mol.Opt.Phys.(submitted). (1997)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] M.Hiyama and H.Nakamura: "Superexcited States of CO Near the First Ionization Threshold" Chem.Phys.Lett.248. 316-320 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] C.Zhu, E.E.Nikitin and H.Nakamura: "Semiclassical Analysis of Resonance States Induced by a Conical Intersection" J.Chem.Phys.104. 7059-7067 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] V.I.Osherov and H.Nakamura: "Quantum Mechanically Exact Analytical Solutions of a Two-State Exponential Model" J.Chem.Phys.105. 2770-2779 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] C.Zhu and H.Nakamura: "Two-by-Two Diabatic Approach for Multi-Channel Curve Crossing Problems" Chem.Phys.Lett.258. 242-347 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] K.Stefanski, K.Someda and H.Nakamura: "Divergences of the Semiclassical S-matrix Formula in Irregular Scattering" Reports on Mathematical Physics. 38, No.3. 398-418 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] C.Zhu and H.Nakamura: "Semiclassical Theory of Multi-channel Curve Crossing Problems : Landau-Zener case" J.Chem.Phys.106. 2599-2611 (1997)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] K.Nobusada, K.Moribayashi and H.Nakamura: "Quantum Dynamics of O (^3P) + HCl*OH+Cl : Effects of Reagent Rotational Excitation" Faraday Transactions. (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] H.Hiyama and H.Nakamura: "Two-Center Coulomb Functions" Comp.Phys.Comm.(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] H.Hiyama and H.Nakamura: "Caussian Expansions of the Two-Center Coulomb Functions" Comp.Phys.Comm.(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] Y.Teranishi and H.Nakamura: "Semiclassical Theory of Time-Dependent Curve crossing Problems" J.Chem.Phys.(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] H.Nakamura: "Nonadiabatic Transitions : Beyond Born-Oppenheimer" Dynamics of Molecules and Chemical Reactions edited by R.E.Wyatt and J.Z.H.Zhang, Marcel Dekker Inc.473-530 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] H.Nakamura and C.Zhu: "Landau, Zener, Stueckelberg, and All That Now Completely Solved" Comments on Atomic and Molecular Physics. 32. 249-266 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] M.Hiyama and H.Nakamura: "Characteristic and Dynamics of Superexcited States of CO" In "Dissociative Recombination : Theory, Experiment and Application", edited by D.Zaifman, B.Mitchell, B.Rowe and D.Schwalm (World Scientific). 212-215 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] H.Nakamura: "Exact Solutions in Sixty Years-Theory for Nonadiabatic Transitions Governing Chemical Phenomena" Chemistry Today [in Japanese]. No.8. 36-42 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] H.Nakamura: "New Developments of the Theory of Nonadiabatic Transitions" Butsuri [in Japanese]. 51. 829-834 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] H.Nakamura: "Nonadiabatic Transitions at Potential Curve Crossings and a New Mechanism of Molecular Switching" J.Korean Phys.Sc. (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] H.Nakamura: "Theoretical Studies of Chemical Dynamics : --Overview of Some Fundamental Mechanisms" Ann.Rev.of Phys.Chem.48 (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] H.Nakamura: "Chemical Reaction Dynamics and Potential Ridge --Beyond the Transition State" in "The Transition State--A Theoretical Approach", edited by T.Fueno (Kohdansha John Wiley & Sons). (1997)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] J.Takahashi and K.Yamashita: "Ab Initio Studies on the Interstellar Molecules C_3H_2 and C_3H and the mechanism for the neutral-neutral reaction C (^3P) + C_2H_2" J.Chem.Phys.104. 6613-6627 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] S.C.Farantos, H-M.Keller, R.schinke, K.Yamashita and K.Morokuma: "Normal mode and isomerization bending states in HCP : Periodic orbit assignment and spectroscopic signature" J.Chem.Phys.104. 10055-10058 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] H.Shiina, M.Oya, K.Yamashita, A.Miyoshi and H.Matsui: "Kinetic Studies on the Pyrolysis of H_2S" J.Phys.Chem.100. 2136-2140 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] K.Tsuchiya, K.Yamashita, A.Miyoshi and H.Matsui: "Studies on the Reactions of Atomic Sulfur (3P) with H_2, D_2, CH_4, C_2H_6, C_3H_8, n-C_4H_<10> and i-C_4H_<10>" J.Phys.Chem.100. 17202-17206 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] A.Hishikawa, k.Ohde, R.Itakura, S.Liu, K.Yamanouchi and K.Yamashita: "Femtosecond Transition State Dynamics of Dissociating OCS on the excited 1Sigma+Potential Energy Surface" J.Phys.Chem.101 (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] M.Furubayashi, I.Bridier, S.Inomata, N.Washida and K.Yamashita: "Laser Induced Fluorescence of the C_2H_2FO Radical" J.Chem.Phys.(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] K.Yamashita: "A Time-Dependent Theoretical Approach to Transition State Spectroscopy" in "The Transition State -A Theoretical Approach", ed.by T.Fueno, John Wiley & Sons. (in press).

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] C.Seko and K.Takatsuka: "Rhythmic Hopping in One-Dimensional Crisis Map" Phys.Rev.E54. 956-959 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] C.Seko and K.Takatsuka: "Non-Ergodicity and Two Sub-Phases in the Coexistence Region in Isomerization Dynamics of Ar7-like Molecules" J.Chem.Phys.105. 8613-8626 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] K.Takatsuka: "Stationary-State Scattering Theory for Dissociative on Non-Adiabatically Coupled Potential Surfaces as a Probe of Transition States" Phys.Rev.A55. 347-360 (1997)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] K.Takatsuka and A.Inoue: "Global Representation of Maslov-type Semiclassical Wavefunction and Its Spectrum in a Small Number of Classical Trajectorie" Phys.Rev.Lett.78. 1404-1407 (1997)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] H.Ushiyama and K.Takatsuka: "Semiclassical Study on Multidimensional Effects in Tunneling Chemikal Reactions. Tunneling Paths and Tunneling Tubes" J.Chem.Phys.(in press).

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] H.Ushiyama and K.Takatsuka: "Statistical redistribution of Trajectories from a Torus to Tori Chaotic Dynamical-Tunneling" Phys.Rev.E53. 115-123 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] K.Takatsuka and C.Seko: "A Scurutiny of the APremise of the Rice-Ramsberger-Kassek-Marcus Theory in Isomerization Reaction of an Ar7-type Molecule" J.Chem.Phys.105. 10356-10366 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] T.Kato and Y.Fujimura: "Intermolecular Interaction-induced Quantum beats in femtosecond Time-resolved Light Scattering from Molecules : photon-polarization and inhomogeneous effects" Chem.Phys.202. 95-106 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] Y.Ohtsuki and Y.Fujiyama: "Theoretical Study of Bath-induced Coherence Transfer Effects on a Time-and frequency-resolved Resonant Light Scattering Spectrum. II.Energy Mismatch Effects" J.Chem.Phys.104. 8321-8331 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] K.Amano, H.Umeda and Y.Fujimura: "Control of a Two-dimensional Unimolecular reaction by a Locally Oprimized Laser Field" Prof.Crystal Growth and Charact.33. 133-136 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] C.M.Dion, s.Chelkowski, A.D.Bandrauk, H.Umeda and Y.Fujimura: "Numerical Simulation of the Isomerization of HCN by two Perpendicular Intense IR Laser Pulses" J.Chem.Phys.105. 9083-9092 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] H.Kono, A,Kira, Y.Ohtsuki and Y.Fujimura: "An Efficient Quantum Mechanical Method for the Electronic Dynamics of the Three-Dimensional Hydrogen Atom Interacting with a Linearly Polarized Strong Laser Pulse" J.Com.Phys.130. 148-159 (1997)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] Y.Ohutsuka, T.Kato, Y.Fujimura and S.H.Lin: "Adiabatic Theory of Laser-Induced Vibrational Predissociation of Physisorbed Molecules : Application to a CO/NaCl System" J.Chem.Phys.106. 4339-4352 (1997)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] K.Sakimoto: "Isotope Variations of Exchange and Dissocaition Reaction in Collinear He+H2+" Chem.Phys.Lett.248. 414-419 (1996)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] K.Sakimoto: "Isotope Effects of Quantum Mechnical Collinear He+H2+Reaction at Energies Below and Above the dissociation Threshold" J.Chem.Soc.Faraday Trans.93. 790-800 (1997)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] K.Sakimoto and K.Nobusada: "Three Dimentional Calculations of Collision-Induced Dissociation in He+H2+ Using Infinite-Order-Sudden Approximation" J.Chem.Phys.106 (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] K.Sakimoto: "Sudden Approximation for Collision Induced Dissociation" J.Phys.B : At Mol.Opt.Phys.(submitted). (1997)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      1996 Final Research Report Summary
  • [Publications] C.Zhu: "Theory of Nonadiabatic Transition for General Two-State Curve Crossing Problems.I.Nonadiabatic Tunneling Case" J.Chem.Phys.101. 10630-10647 (1994)

    • Related Report
      1995 Annual Research Report
  • [Publications] K.Tsuda: "Quantum Dynamics of the Mu+H_2 and Mu+D_2 Reactions" Chem.Phys.Lett.231. 439-443 (1994)

    • Related Report
      1995 Annual Research Report
  • [Publications] K.Someda: "Competition between Intermolecular Vibrational Energy Redistribution and Unimolecular Dissociation:A Scattering Theoretical Point of View." Laser Chemistry. 15. 145-156 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] S.Takada: "Effects of Vibrational Excitation on Multidimensional Tunneling:General Study and Proton Tunneling in Tropolone" J.Chem.Phys.102. 3977-3992 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] C.Zhu: "Theory of Nonadiabatic Transition for General Two-State Curve Crossing Problems.II.Landau-Zener Case" J.Chem.Phys.102. 7448-7461 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] K.Tsuda: "Quantum Dynamics of the Mu+H_2(Ho,D_22) and H+Mu(MuD)Reactions" J.Chem.Phys.103. 5512-5521 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] K.Moribayashi: "Accurate Quantum Dynamics of the Light Atom Transfer Chemical Reaction O+HC1→OH+C1" J.Phys.Chem.99. 15410-15420 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] F.O.Goodman: "On the Multiple Peaks in Charge-Transfer Probability vs.Laser Frequency in Theory of Laser Assisted Surface Ion Neutralization" Prog.in Surface Science. 50. 389- (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] M.Hiyama: "Superexcited States of CO Near the First Ionization Threshold" Chem.Phys.Lett.(in press). (1996)

    • Related Report
      1995 Annual Research Report
  • [Publications] K.Nobusada: "A close-coupling study of collision induced dissociation in He+H_2" Chem.Phys.Letters. 233. 399-404 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] K.Nobusada: "A quantum mechanical study of dissociative He+H_2 collisions" Chem.Phys.197. 147-155 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] K.Sakimoto: "Isotope variations of exchange and dissociation reaction in collinear He+H_2^+ collisions" Chem.Phys.Letters. (in press). (1996)

    • Related Report
      1995 Annual Research Report
  • [Publications] K.Takatsuka: "Tunneling Solutions of Hamilton-Jacobi Equation for Multi-dimensional Semiclassical Theory" Phys.Rev.A51. 4353-4364 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] K.Takatsuka: "Nonlinear Dynamics in Coupled Fuzzy Control Systems.I.Coherence and Chaos-Frustration in Triangle Configuration" Physica. D82. 95-116 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] N.Hashimoto: "Expected Significance of Weakly Chaotic Vibrational Motions in Single Molecule Spectroscopy" J.Chem.Phys.103. 6914-6929 (1995)

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      1995 Annual Research Report
  • [Publications] K.Takatsuka: "A Novel method to Calculate Eigenfunctions and Eigenvalues in a Given Energy Range" J.Chem.Phys.103. 6057-6067 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] H.Ushiyama: "Statistical Redistribution of Trajectories from a Torus to Tori by Chaotic Dynamical Tunneling" Phys.Rev.E53. 115- (1996)

    • Related Report
      1995 Annual Research Report
  • [Publications] A.Tachibana: "Regional Density Functional Theory for Initiation Reaction of Anionic Polymerization" J.Am.Chem.Soc.117. 3605-3610 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] S.Kawauchi: "Ab Initio Study of Ion-Molecule Reactions between H_2SiNH_2+and NH_3" Heteroatom Chem.5. 541-547 (1994)

    • Related Report
      1995 Annual Research Report
  • [Publications] M.Ishikawa: "Silicon-Carbon Unsaturated Compounds.51.Nickel-Catalyzed Reactions of 3,4-Benzo-1,1,2,2-tetraethy1-1,2-disilacyclobut-3-ene with Alkenes and Dienes" Orgenometallics,Organometallics. 14. 114-120 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] M.Yoshikawa: "Sythesis of Poly[2-(N,N-dimethyl)aminoethyl Methacrylate-co-acrylonitrile]" Polymer Bulletin. 35. 95-102 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] Y.Yokomichi: "Theoretical Study of NO Decomposition on Cu-ZSM-5 Catalyst Models" Catalysis Today. 23. 431-437 (1995)

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      1995 Annual Research Report
  • [Publications] A.Tachibana: "Density Functional Theory of Chemical Reactivity Indices in Some Ion-Molecule Reaction Systems" Int.J.Quant.Chem.(in press).

    • Related Report
      1995 Annual Research Report
  • [Publications] A.Tachibana: "New Formulation of the Analytical Electronic Energy and the Regional Density Functional Theory" Int.J.Quant.Chem.(in press).

    • Related Report
      1995 Annual Research Report
  • [Publications] A.Tachibana: "Stability of Time-Reversal Electron Pair and Density Functional Theory of Superconductivity" Can.J.Chem.(in press).

    • Related Report
      1995 Annual Research Report
  • [Publications] M.Sugawara: "Control of Quantum Dynamics by a Locally optimized Laser Field.Multi-photon Dissociation of Hydrogen Fluoride" Chem.Phys.196. 113-124 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] H.Umeda: "Nuclear Wavepacket Study on Unimolecular Reactions of Hydrogen Cyanide Excited by Femtosecond Pulsed Lasers" J.Chin.Chem.Soc.42. 353-358 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] D.Kato: "Two-Electron Correlations in e+H→e+e+p near threshold" Phys.Rev.Lett.74. 2443-2446 (1995)

    • Related Report
      1995 Annual Research Report
  • [Publications] O.Tolstikhin: "Hyperspherical Elliptic Coordinates and Three-Body Coulomb Problem" Phys.Rev.Lett.74. 3573-3576 (1995)

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      1995 Annual Research Report
  • [Publications] O.Tolstikhin: "Hyperspherical Elliptic Coordinates:New Approximate Symmetry of Three-Body Coulomb Problem" American Institute of Physics. (in press).

    • Related Report
      1995 Annual Research Report
  • [Publications] C.Leforestier: "Transition State Resonances by Complex Scaling:A Three Dimensional Study of C1HC1" J.Chem.Phys.103. 8468-8476 (1995)

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      1995 Annual Research Report
  • [Publications] H.Shiina: "Kinetic Studies on the Pyrolysis of H_2S" J.Phys.Chem.(in press).

    • Related Report
      1995 Annual Research Report
  • [Publications] T.Schroder: "New Aspects of the Photodissociation of Water in the First Absorption Band:How Strong is the Excitation of the First Triplet State?" J.Chem.Phys.(in press).

    • Related Report
      1995 Annual Research Report
  • [Publications] J.Takahashi: "Ab Initio Studies on the Interstellar Molecules C_3H_2 and C_3H and the Mechanism for the Neutral-Neutral Reaction C(^3P)+C_2H_2" J.Chem.Phys.(in press).

    • Related Report
      1995 Annual Research Report
  • [Publications] M.Stumpf: "The Unimolecular Dissociations of HCO,HNO and HO_2:From Regular to Irregular Dynamics" Faraday Discuss.Chem.Soc.(in press).

    • Related Report
      1995 Annual Research Report
  • [Publications] K.Moribayasi: "Constant Centrifugal Potential Approximation for Atom-Diatom Chemical Reaction Dynamics" J.Chem.Phys.100. 4284-4293 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] S.Takada: "WKB Theory of Tunneling between Tori" Prog.Theor.Phys.Suppl.116. 295-301 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] K.Someda: "Overlapping-Resonance Scattering and Statistical Theory of Unimolecular Decomposition" Prog.Theor.Phys.Suppl.116. 443-450 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] K.Someda: "Systematics of the Average Resonance Widths in Overlapping Resonance-scattering and its Connection with the RRKM Theory" Chem.Phys.187. 195-209 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] C.Zhu: "The Two-state Linear Curve Crossing Problems Revisited:IV.The Best Analytical Formulas for Scattering Matrices" J.Chem.Phys.101. 4855-4866 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] K.Someda: "Decoupling Surface analysis of Cl+Cl_2 Reaction Embedded in Ar_<52> Cluster," Bull.Chem.Soc.Japan. 67. 2659-2664 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] C.Zhu: "Theory of Nonadiabatic Transition for General Two-State Curve Crossin Problems.I.Nonadiabatic Tunneling Case" J.Chem.Phys. 101. 10630-10647 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] K.Tsuda: "Quantum Dynamics of the Mu+H_2 and Mu+D_2 Reactions" Chem.Phys.Lett.231. 439-443 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] K.Someda: "Competition between Intermolecular Vibrational Energy Redistribution and Unimolecular Dissociation:A Scattering Theoretical Point of View" Laser Chemistry. 15. 145-156 (1995)

    • Related Report
      1994 Annual Research Report
  • [Publications] S.Takada: "Effects of Vibrational Excitation on Multidimensional Tunneling:General Study and Proton Tunneling in Tropolone" J.Chem.Phys.(in press).

    • Related Report
      1994 Annual Research Report
  • [Publications] H.Nakamura: "Characteristics and dynamics of superexited states of molecules" J.Chinese.Chem.Soc. special issue. (in press).

    • Related Report
      1994 Annual Research Report
  • [Publications] K.Sakimoto: "Quantum mechanical calculations of collinear reactive collisions at energies above the dissociation threshold" J.Chem.Phys.100. 1171-1178 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] K.Sakimoto: "Quantum-mechanical calculations of the collinear rearrangement reaction He+H_2^+->HeH^++H at energies up to the dissociation threshold" Chem.Phys.Letters. 226. 227-334 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] K.Sakimoto: "Quantum mechanical study of collosion-induced dissociation for atom-Diatom reactive systems:on the scattering boundary condition" Chem.Phys.Letters. 228. 323-328 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] K.Nobusada: "A close-couplong study of collision-induced-dissociation in He+H_2" Chem.Phys.Letters. (in press).

    • Related Report
      1994 Annual Research Report
  • [Publications] K.Takatsuka: "A Quantization condition and Energy shift for Weak Chaos" Prog.Theoret.Phys. 91. 421-435 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] K.Takatsuka: "Nonlinear Dynamics in Coupled Fuzzy Control Systems.I.Coherence and Chaos-Frustration in Triangle Configuration" Physica D. (in press).

    • Related Report
      1994 Annual Research Report
  • [Publications] A.Tachibana: "Electron-Pair Potential in the Doped C_<60> Superconductors" Fullerene science and Technology. 2. 107-119 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] A.Tachibana: "Ab Initio Study of Anionic Polymerization:Initiation Reactions of Carbosilane Polymer" J.Chem.Phys.98. 9470-9476 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] J.Ohsita: "Silicon-Carbon Unsaturated Compounds.XL VIII.Synthesis and Reactions of Silicon Analogs of Lithium Enolates" Journal of Organometallic Chemistry. 473. 15-17 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] A.Tachibana: "Local Model Calculation for Fluorination Process in Thermal Etching of Si.II.Calculation for a Larger System" Trends in Inorganic Chemistry. 3. 553-558 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] A.Tachibana: "Wannier Analysis of the Cooper Pairing Force" Int.J.Quant.Chem.49. 625-637 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] S.Kawauchi: "Molecular Structures and Relative Stability of SiH_2N_2 and CH_2N_2 Isomers" J.Mol Struc.310. 255-267 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] A.Tachinaba: "Reaction Holonomy and the Geometric Phase of Quantum Evolution in Chemical Reaction Systems" J.Mol Struc.310. 1-11 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] A.Tachinaba: "Quantum Chemical Study of SiC Formation Process in Plasma Enhanced Chemical Vapor Deposition System" J.Mol Struc.313. 121-128 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] A.Tachibana: "String Model of Chemical Reactions" Conceptual Trends in Quantum Chemistry. 101-118 (1994)

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      1994 Annual Research Report
  • [Publications] 立花明知: "超伝導体では本当に電子がペアになって動いているのか" 化学. 49(10). 698-700 (1994)

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      1994 Annual Research Report
  • [Publications] M.Sugawara: "Control of Quantum Dynamic by Locally Optimized Laser Field.Application to a Ring Puckering Isomerization." J.Chem.Phys.100. 5646-5655 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] M.Sugawara: "Control of Quantum Dynamic by Locally Optimized Laser Field.II.Application to a System with Dissipation" J.Chem.Phys.101. 5586-5692 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] M.Sugawara: "Wavepacket Dynamics of Hydrogen Cyanide Excited by Intense Ultrashort Pulsed Laser" J.Mol Struc.310. 77-82 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] T.Taneichi: "Control of Non-adiabatic Photodissociation of Sodium Iodide Using Ultrashort Pump and Control Pulses" Chem.Phys.Lett.231. 50-54 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] H.Umeda: "Multiphoton Dissociation Dynamics of Hydrogen cyanide in Nonstationary Laser Fields:Important Role of Dipole Moment Function" Chem.Phys.Lett.229. 233-238 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] 藤村勇一: "フェトム秒化学反応制御" O.plis E. 176(7). 103-108 (1994)

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      1994 Annual Research Report
  • [Publications] J-Z.Tang: "Critical Study of Photodetachment Spectra of H^-" Phys.Rev.A49. 1021-10284 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] K.Hino: "Double-electron Excitation of H^-byFfast proton and Anti-proton Impact" Phys.Rev.A49. 3753-3760 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] T.Morishita: "Ab initio Electron Emission Cross Section of doubly Excited He Generated by fast Proton and Anti-proton Impact" J.Phys.B. 27. L287-L292 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] M.Kimura: "Electron-energy Spectra of H_- doubly Excited States Resulting from Collisions of H^-with He" Phys.Rev.A50. 2309-2312 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] C.Leforestier: "Theoretical Study of the UV Photodissociation of Ozone.Comparison with Experiments" J.Chem.Phys.101. 3806-3818 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] K.Ishii: "Ab Initio Study on Low-Lying Vibrational States and Spectroscopic Constants of MgNC(X^2S^+)" J.Mol.Struct.305. 117-125 (1994)

    • Related Report
      1994 Annual Research Report
  • [Publications] T.Schroder: "New Aspects of the Photodissociation of Water in the First Absorption Band:How Strong is the Excitation of the First Triplet State?" J.Chem.Phys.(in press).

    • Related Report
      1994 Annual Research Report
  • [Publications] N.Someda: "Decoupling Surface Analysis of Classical Irregular Scattering and Clarification of Its Icicle Structure" J.Chem.Phys.98. 1156-1169 (1993)

    • Related Report
      1993 Annual Research Report
  • [Publications] C.Zhu: "The Two‐State Linear Curve Crossing Problems Revisited III.Analytical Approximations for the Stokes Constant and Scattering Matrix:Nonadiabatic Tunneling Case" J.Chew.Phys.98. 6208-6222 (1993)

    • Related Report
      1993 Annual Research Report
  • [Publications] M.Iwai: "Electron Correlation in Doubly Excited States of the Hydrogen Molecule" Phys.Rev.A. A47. 2686-2700 (1993)

    • Related Report
      1993 Annual Research Report
  • [Publications] C.Zhu: "Numerical Method for the Two‐State Linear Curve Crossing:Nonadiabatic Tunneling Case" Comp.Phys.Comm.74. 9-17 (1993)

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      1993 Annual Research Report
  • [Publications] S.Takada: "Wenzel‐Kramers‐Brillouin Theory of Multidimensional Tunneling:General Theory for Energy Splitting" J.Chew.Phys.100. 98-113 (1994)

    • Related Report
      1993 Annual Research Report
  • [Publications] S.Takada: "WKB Theory of Tunneling Between Tori" Prog.Theor.Phys.in press. (1994)

    • Related Report
      1993 Annual Research Report
  • [Publications] K.Moribayashi: "Constant Centrifugal Potential Approximation for Atom‐Diatom Chemical Reaction Dynamics" J.Chew.Phys.in press. (1994)

    • Related Report
      1993 Annual Research Report
  • [Publications] K.Someda: "Overlapping‐Resonance Scattering and Statistical Theory of Unimolecular Decomposition" Prog.Theor.Phys.in press. (1994)

    • Related Report
      1993 Annual Research Report
  • [Publications] J.Turulski: "The rate of ion‐linear dipole capture at extremely low temperatures estimated with the use of the statistical adiabatic channel model" Chem.Phys.174. 387-396 (1993)

    • Related Report
      1993 Annual Research Report
  • [Publications] K.Nobusada: "Quantumm‐mechanical close‐coupling calculations of collision induced dissociation in He+H_2: ADiscretized continuum model" Chem.Phys.Letters. 216. 613-618 (1993)

    • Related Report
      1993 Annual Research Report
  • [Publications] K.Sakimoto: "Quantum mechanical calculations of collinear reactive collisions at energies above the dissociation threshold:A discrete‐variable‐representation approach" J.Chem.Phys.100 in press. (1994)

    • Related Report
      1993 Annual Research Report
  • [Publications] K.Takatsuka: "Concept of Phase‐Space Large Amplitude Motion.A Classical Study" Chem.Phys.Letters. 204. 491-495 (1993)

    • Related Report
      1993 Annual Research Report
  • [Publications] K.Takatsuka: "Quasi‐Action Variables for Chaos in Chemical Dynamics." Bull.Chem.Soc.Japan. 66. 3189-3202 (1993)

    • Related Report
      1993 Annual Research Report
  • [Publications] K.Takatsuka: "A Quantization Condition and Energy Shift for Weak Chaos." Prog.Theoret.Phys.in press. (1994)

    • Related Report
      1993 Annual Research Report
  • [Publications] A.Tachibana: "Novel Electron Correlation in the Scattering Continuum for a Stability Analysis of the Electron Pair in the′Atomic′Level" Bull.Chem.Soc.Jpn.66. 3319-3325 (1993)

    • Related Report
      1993 Annual Research Report
  • [Publications] A.Tachibana: "Vibronic Attractive Interaction for Superconductivity in a Local Model of C_<60>" Chem.Phys.Lett.201. 315-320 (1993)

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      1993 Annual Research Report
  • [Publications] A.Tachibana: "Direct Reaction Pathways for Silicon Nitride Bond Formation in the SiH_4‐NH_3 Mixture in Gas Phase" Acta Chimica Hungarica‐Models in Chemistry. 130. 111-128 (1993)

    • Related Report
      1993 Annual Research Report
  • [Publications] A.Tachibana: "Ion‐Molecule Reactions between SiH_3^+ and NH_3" J.Mol.Struc.300. 501-508 (1993)

    • Related Report
      1993 Annual Research Report
  • [Publications] A.Tachibana: "Wannier Analysis of the Cooper Pairing Force" Int.J.Quant.Chem.in press. (1994)

    • Related Report
      1993 Annual Research Report
  • [Publications] A.Tachibana: "Electron‐Pair Potential in the Doped C_<60> Superconductors" Fullerene Science and Technology. in press. (1994)

    • Related Report
      1993 Annual Research Report
  • [Publications] A.Tachibana: "Quantum Chemical Study of SiC Formation Process in Plasma Enhanced Chemical Vapor Deposition" J.Mol.Struc.in press. (1994)

    • Related Report
      1993 Annual Research Report
  • [Publications] M.Sugawara: "Wave packet Dynamics of Photodissociation of a Linear Triatomic Molecule under Intense Nonstationary Laser Field Condition" Chem.Phys.175. 323-33 (1993)

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      1993 Annual Research Report
  • [Publications] E.Hiroike: "Dephasing Effects on Ultrafast Transient Hole‐Burning of Nonpola Solute and Solvent Molecules" Chem.Phys.Lett.201. 437-443 (1993)

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      1993 Annual Research Report
  • [Publications] M.Sugawara: "Mechanisu of Above‐Threshold Dissociation of Hydrogen and Deuterium Molecular Ions" Bull.Chem.Soc.Jpn.66. 3253-3238 (1993)

    • Related Report
      1993 Annual Research Report
  • [Publications] M.Sugawara: "Wave‐Packet Dynamics of Hydrogen Cyanide Excited by Intense Ultrashort Pulsed Laser" J.Mol.Struct.(Theochem). in press. (1994)

    • Related Report
      1993 Annual Research Report
  • [Publications] M.Sugawara: "Control of Quantum Dynamics by Locally Optimized Laser Field Application to Ring Puckerit Isomerization" J.Chem.Phys.100 in press. (1994)

    • Related Report
      1993 Annual Research Report
  • [Publications] K.Moribayashi: "Hyperspherical approach to doble‐electron excitation of He by fast‐ion impact.IV Excitation to the(21,31′)and(31,31′)manifolds by multiply‐charged ion impact" Phys.Rev.A.47. 4874-4876 (1993)

    • Related Report
      1993 Annual Research Report
  • [Publications] J‐Z.Tang: "Very narrow doubly excited 2(1,0)^-n and 2(‐1,0)^0n ^1P^0 States of He" Phys.Rev.A.48. 841-844 (1993)

    • Related Report
      1993 Annual Research Report
  • [Publications] B.Zhou: "Enhancement of narrow resonances in photoabsorption from the He atom in metastable states" J.Phys.B At.Mol.Opt.Phys.26. L337-345 (1993)

    • Related Report
      1993 Annual Research Report
  • [Publications] B.Zhou: "Ahyperspherical close‐coupling calculation of photoionization from He atom,Li^+ and C^<4+> ions: Below the N=2 thresholds" J.Phys.B At.Mol.Opt.Phys.26. 2555-2573 (1993)

    • Related Report
      1993 Annual Research Report
  • [Publications] S.Watanabe: "Hyperspherical Close coupling method extended to the two electron continuum region:test on the swave model fore‐H scattering" J.Phys.B At.Mol.Opt.Phys.26. L495-L501 (1993)

    • Related Report
      1993 Annual Research Report
  • [Publications] J‐Z.Tang: "Critical study of photodetachment spectra of H^+." Phys.Rev.A.in press.

    • Related Report
      1993 Annual Research Report
  • [Publications] K.Hino: "Double‐electron excitation of H^- by fast proton and anti‐proton impact" Phys.Rev.A.in press.

    • Related Report
      1993 Annual Research Report
  • [Publications] E.Herbst: "Calculations of Interstellar Radiative Association Rates including Tunneling:The Strange Case of C_2H_2^++H_2" J.Chem.Soc.Faraday Trans.89. 2175-2183 (1993)

    • Related Report
      1993 Annual Research Report
  • [Publications] K.Ishii: "An Ab Initio Prediction of the Spectroscopic Constants of MgNC:The First Mg‐Bearing Molecule in Spacc" Astrophys.J.410. L43-L44 (1993)

    • Related Report
      1993 Annual Research Report
  • [Publications] W.Gabriel: "Theoretical Ratational‐Vibrational Spectrum of SiH_2(X^1A_1 and a^3B_1)" Chem.Phys.174. 45-56 (1993)

    • Related Report
      1993 Annual Research Report
  • [Publications] S.A.Maluendas: "Calculations on the Competition between Association and Reaction for C_3H^++H_2" J.Chem.Phys.99. 2812-2820 (1993)

    • Related Report
      1993 Annual Research Report
  • [Publications] K.Ishii: "Ab Initio Study on Low‐Lying Vibrational States and Spectroscopic Constants of MgNC(X^2SIGMA^+)" J.Mol.Struct.(THEOCHEM). in press.

    • Related Report
      1993 Annual Research Report
  • [Publications] H.Kato: "Ab Initio Study of Neutral and Cationic B_<12> and B_<13> Clusters" Bull.Chem.Soc.Japan. 66. 3358-3361 (1993)

    • Related Report
      1993 Annual Research Report
  • [Publications] K.Yamashita: "Theoretical Study on the Highly Vibrationally Excited States of FHF^- Ab Initio Potential Energy Surface and Hyperspherical Formulation" J.Chem.Phys.99. 8848-8855 (1993)

    • Related Report
      1993 Annual Research Report
  • [Publications] B.Weis: "Theoretical Potential Energy Functions and Rovibronic Spectrum of Electronically Excited States of HCO^+" J.Chem.Phys.99. 9512-9520 (1993)

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      1993 Annual Research Report
  • [Publications] S.Takada: "Effects of Potential Energy Surface Topography and Isotope Substitution in Atom‐Diatom Chemical Reactions:The Cl+H_2 Systems Advances in Molecular Vibrations and Collision Dynamics IIA:Quautum Reactive Scattering" JAI, 39 (1993)

    • Related Report
      1993 Annual Research Report
  • [Publications] S.Lee: "Characteristics and Dynamics of Doubly Excited States of Molecules" Marcel Dekker, in press (1993)

    • Related Report
      1993 Annual Research Report
  • [Publications] H.Sun: "Charactcristics of Superexcited States of Molecules and MQDT Studies of NO+Dissociative Recombination Dissociative Recombination:Theory,Experiment and Applications" Plenum, 9 (1993)

    • Related Report
      1993 Annual Research Report
  • [Publications] 中村宏樹: "分子の衝突と化学反応" 数理科学のNo.360, 7 (1993)

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      1993 Annual Research Report
  • [Publications] A.Tachibana: "String Model of Chemical Reactions in press" Conceptual Trends in Quantum Chemistry, (1994)

    • Related Report
      1993 Annual Research Report
  • [Publications] A.Tachibana: "Computer Aided Innovation of New Materials" Nonadiabatic Vibronic Interaction in a C_<60> Ball, 3 (1993)

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      1993 Annual Research Report
  • [Publications] A.Tachibana: "Quantum Chemical Studies on Vibronic Coupling in New Functionality Materials" New Functionality Materials, 7 (1993)

    • Related Report
      1993 Annual Research Report
  • [Publications] M.Bear: "Variational Principles for Reactive Collisions based based on the Generalized Lagrange Multiplier Method" J.Chem.Phys.96. 6565-6575 (1992)

    • Related Report
      1992 Annual Research Report
  • [Publications] M.Kimura: "Coupled Channel Treatment of Transitions between Na(^2P_1/2,mj)and Na(^2P_3/2mj')in Collision with Na(^2S_1/2,mj'')" J.Chem.Phys.96. 7423-7432 (1992)

    • Related Report
      1992 Annual Research Report
  • [Publications] H.Nakamura: "Nonadiabatic Tunneling in One-Dimensional Finite Periodic Potential System" J.Chem.Phys.97. 256-264 (1992)

    • Related Report
      1992 Annual Research Report
  • [Publications] C.Zhu: "The Two-State Linear Curve Crossing Problems Revisited.I.Analysis of Stokes Phenomenon and Expressions for Scattering Matrices" J.Chem.Phys.97. 1892-1904 (1992)

    • Related Report
      1992 Annual Research Report
  • [Publications] C.Zhu: "Stokes Constants for a Certain Class of Second-Order Ordinary Differential Equations" J.Math.Phys.33. 2697-2717 (1992)

    • Related Report
      1992 Annual Research Report
  • [Publications] C.Zhu: "The Two-State Linear Curve Crossing Problems Revisited.II.Analytical Approximations for the Stokes Constant and Scattering Matrix:The Landau-Zener Case" J.Chem.Phys.97. 8497-8514 (1992)

    • Related Report
      1992 Annual Research Report
  • [Publications] C.Zhu: "The Two-State Linear Curve Crossing Problems Revisited.III.Analytical Approximations for the Stokes Constant and Scattering Matrix:Nonadiabatic Tunneling Case" J.Chem.Phys.98. (1993)

    • Related Report
      1992 Annual Research Report
  • [Publications] K.Someda: "Decoupling Surface Analysis of Classical Irregular Scattering and Clarification of Its Icide Structure" J.Chem.Phys.98. 1156-1169 (1993)

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      1992 Annual Research Report
  • [Publications] M.Iwai: "Electron Correlation in Doubly Excited States of the Hydrogen Molecule" Phys.Rev.A. (1993)

    • Related Report
      1992 Annual Research Report
  • [Publications] C.Zhu: "Numerical Method for the Two-State Linear Curve Crossing:Nonadiabatic Tunneling Case" Comp.Phys.Commun.74. 9-17 (1993)

    • Related Report
      1992 Annual Research Report
  • [Publications] K.Sakimoto: "Theory of Ion-Hydrogen Collisions in a Uniform Magnetic Field" J.Phys.B:At.Mol.Opt.Phys.25. 3641-3654 (1992)

    • Related Report
      1992 Annual Research Report
  • [Publications] K.Sakimoto: "Theory of Ion-hydrogen Collisions in a Uniform Magnetic Field II" J.Phys.B:At.Mol.Opt.Phys.25. 5399-5411 (1992)

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      1992 Annual Research Report
  • [Publications] K.Takatsuka: "Dynamics and Quantization of Hamiltonian Chaos:Density of States in Phase-Space Semiclassical Mechanics" Phys.Rev.A45. 4326-4339 (1992)

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      1992 Annual Research Report
  • [Publications] K.Takatsuka: "Extraction of Accurate Frequencies from the Fast-Fourier-Transform Spectra" J.Comp.Phys.374-380 (1992)

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      1992 Annual Research Report
  • [Publications] K.Takatsuka: "Concept of Phase-Space Large Amplitude Motion.A Classical Study" Chem.Phys.Lett.(1993)

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      1992 Annual Research Report
  • [Publications] A.Tachibana: "Atomic Orbital-Wise Characterization of the Vibronic Attractive Interaction in a Model of an Oxygen-Containing Organic Polymer" Can.J.Chem.70. 427-433 (1992)

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      1992 Annual Research Report
  • [Publications] A.Tachibana: "Finite-Size Dimensional Analysis of the Superconducting Vibronic Interaction" Int.J.Quant.Chem.41. 273-279 (1992)

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      1992 Annual Research Report
  • [Publications] A.Tachibana: "Reaction Ergodography for Silicon Nitridr Bond Formation by the Nitridation of Silicon Dioxide" J.Phys.Chem.96. 3029-3033 (1992)

    • Related Report
      1992 Annual Research Report
  • [Publications] A.Tachibana: "A Quantum Chemical Study of Interchain Hopping Model of Negatively Charged Solitons in Polyacetylene" Int.J.Quant.Chem.41. 461-474 (1992)

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      1992 Annual Research Report
  • [Publications] T.X.Lu: "Vibronic Dressed Electronic States and Nonadiabatic Effects in Polyacetylene" Int.J.Quant.Chem.42. 425-438 (1992)

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      1992 Annual Research Report
  • [Publications] T.X.Lu: "Molecular Dynamic Structure and Dimerization of Polyacetylene" Int.J.Quant.Chem.41. 475-488 (1992)

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      1992 Annual Research Report
  • [Publications] A.Tachibana: "Spontaneous Pair-Bond Scission Reaction between SiH_4 and F_2" Chem.Phys.Lett.199. 281-285 (1992)

    • Related Report
      1992 Annual Research Report
  • [Publications] A.Tachibana: "Dynamic Stability of Silacarbonyl Ylide" Int.J.Quant.Chem.42. 929-939 (1992)

    • Related Report
      1992 Annual Research Report
  • [Publications] A.Tachibana: "Effect of Ion Vibration for the Proton-Transfer Reaction of the Ammonia Cation.II.Classical Trajectory Calculation of an Orientational Effect" J.Chem.Phys.97. 4921-4928 (1992)

    • Related Report
      1992 Annual Research Report
  • [Publications] A.Tachibana: "External Field Effects for Chemical Reaction" Trends Phys.Chem.3. 7-15 (1992)

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      1992 Annual Research Report
  • [Publications] A.Tachibana: "SiH_3 Radical Mechanisms for Si-N Bond Formation" J.Am.Chem.Soc.114. 7504-7507 (1992)

    • Related Report
      1992 Annual Research Report
  • [Publications] A.Tachibana: "The Bond Nature and Reactivity of Silicon Compounds" Rev.Heteroatom Chem.6. 76-93 (1992)

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      1992 Annual Research Report
  • [Publications] A.Tachibana: "On the Redistribution of Electrons for Chemical Reaction Systems" Int.J.Quant.Chem.41. 527-555 (1992)

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      1992 Annual Research Report
  • [Publications] A.Tachibana: "Vibronic Attractive Interaction for Superconductivity in a Local Model of C_<60>" Chem.Phys.Left.(1992)

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      1992 Annual Research Report
  • [Publications] M.Sugawara: "Non-Markovian Effects of Intermolecular Vibrational Coherence on Femtosecond Time-resoved Coherent Anti-Stokes Raman Scattering from Molecules in Condensed Phases" Chem.Phys.Letts.189. 346-352 (1992)

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      1992 Annual Research Report
  • [Publications] Y.Nomura: "Vibronic Coherence between the Sequential Transitions in Two-photon Processed induced by Phase-incoherent Light Beams" Phys.Rev.A. 45. 4855-4863 (1992)

    • Related Report
      1992 Annual Research Report
  • [Publications] Y.Fujimura: "Mechenism of External Magnetic Field Dependent Fluorescence Decays of Gaseous Carbon Disulfide" Chem.Phys.162. 205-212 (1992)

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      1992 Annual Research Report
  • [Publications] T.Kato: "Effects of Intermolecular Vibronic Dephasing on Time-resolved Sum-frequency Generation from Molecules at an Interface" Chem.Phys.Letts.194. 380-385 (1992)

    • Related Report
      1992 Annual Research Report
  • [Publications] M.Hayashi: "Orgin of Subpicosecond Decay Components Revealed in Time-profiles of Coherent Anti-Stokes Raman Scattering from Neat Benzene" Chem.Phys.Letts.196. 44-50 (1992)

    • Related Report
      1992 Annual Research Report
  • [Publications] Y.Nomura: "Theoretical and Experimental Study on the Profile of Pump-probe Time-resolved Intensity Correlation Spectroscopy with Incoherent Light Beams" Chem.Phys.Letts.197. 405-412 (1992)

    • Related Report
      1992 Annual Research Report
  • [Publications] D.Ray: "Doubly Excited ^1F^0 States of Two-electrons--A Time-dependent Variation-perturbation Calculation" Phys.Lett.A. 169. 452-457 (1992)

    • Related Report
      1992 Annual Research Report
  • [Publications] K.Moribayashi: "Hyperspherical Approach to Double-electron Excitation of He by Fast-ion Impact. III Excitation to the (21,21') Manifold by Multiply-charged Ion Impact" Phys.Rev.A. 46. 1684-1687 (1992)

    • Related Report
      1992 Annual Research Report
  • [Publications] K.Moribayashi: "Hyperspherical Approach to Double-electron Excitation of He by Fast-ion Impact.IV Excitation to the (21,31') and (31,31') Manifolds by Multiply-charged Ion Impact" Phys.Rev.A.

    • Related Report
      1992 Annual Research Report
  • [Publications] J.Z.Tang: "General Computational Method for Two Electron Systems" Phys.Rev.A. 46. 2437-2444 (1992)

    • Related Report
      1992 Annual Research Report
  • [Publications] J.Z.Tang: "Dipole Density Function and Evaluation of the Osicillator Strength of He" Phys.Rev.A. 46. 3758-3761 (1992)

    • Related Report
      1992 Annual Research Report
  • [Publications] J.Z.Tang: "Evidence of an Excited Angular Correlation Mode in High-lying He^-" Phys.Rev.Lett.69. 1633-1635 (1992)

    • Related Report
      1992 Annual Research Report
  • [Publications] K.Yamashita: "Calculation on the Rate of the Ion-molecule Reaction C_2H_2^++H_2→C_2H_3+H" J.Chem.Phys.96. 5801-5807 (1992)

    • Related Report
      1992 Annual Research Report
  • [Publications] K.Yamashita: "New Ab Initio Potential Surfaces and Three-Dimensional Quantum Dyanmics for Transition State Spectroscopy in Ozone Photodissociation" Chem.Phys.Lett.191. 515-520 (1992)

    • Related Report
      1992 Annual Research Report
  • [Publications] E.Herbst: "Calculations of Interstellar Radiative Association Rates Including Tunneling,The Strange Case of C_2H_2^++H_2" J.Chem.Soc.Faraday Transactions. (1993)

    • Related Report
      1992 Annual Research Report
  • [Publications] S.Takada: "Advances in Molecular Vibrations and Collision Dynamics:Quantum Reactive Scattering" JAI, (1993)

    • Related Report
      1992 Annual Research Report
  • [Publications] S.Lee: "Molecules in Laser Fields" Marcel Dekker, (1993)

    • Related Report
      1992 Annual Research Report
  • [Publications] H.Takagi: "Theoretical Problems in the Dissociative Recombination of H_2^++e,Dissociative Recombination:Theory Experiment,and Applications" Plenum,

    • Related Report
      1992 Annual Research Report
  • [Publications] M.Hayashi: "Effects of Intermolecular Vibrational Dephasing on Time-Resolved Coherent Anti-Stokes Raman Scattering from Molecules in Liq1id" Springer-Verlag,

    • Related Report
      1992 Annual Research Report
  • [Publications] Y.Fujimura: "Dynamical Effects on U1 trashort Time-Resolved Nonlinear Coherent Scattering from Molecules in Condensesd Phases" Springer-Verlag, (1992)

    • Related Report
      1992 Annual Research Report
  • [Publications] M.Sugawara: "Vibrational Wave Packet Dynamics of Diatomic Molecules Under Intense U1tra-Short Laser Pulses" Springer-Verlag, (1992)

    • Related Report
      1992 Annual Research Report

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Published: 1992-04-01   Modified: 2017-03-24  

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