Development of generation of large-male potential energy surfaces num local interpolation and molecular mechanics

• Project/Area Number: 16550025
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Single-year Grants
• Section: 一般
• Research Field: Physical chemistry
• Research Institution: Kyoto University
• Principal Investigator: ISHIDA Toshimasa Kyoto University, Fukui Institute for Fundamental Chemistry, Assoc. Prof. (50212890)
• Co-Investigator(Kenkyū-buntansha): NANBU Shinkoh Kyushu Univ, Research Institute for Information Technology, Assoc. Prof (00249955)
• Project Period (FY): 2004 – 2007
• Project Status: Completed (Fiscal Year 2007)
• Budget Amount: ¥3,380,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥180,000); Fiscal Year 2007: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000); Fiscal Year 2006: ¥1,200,000 (Direct Cost: ¥1,200,000); Fiscal Year 2005: ¥600,000 (Direct Cost: ¥600,000); Fiscal Year 2004: ¥800,000 (Direct Cost: ¥800,000)
• Keywords: Reaction dynamics / Potential energy surface / Quantum Chemistry / Molecular mechanics / Molecular physics / 化学反応 / 局所内挿法 / 分子力学法 / 内部座標

Research Abstract

In large scale systems, so called QM/MM methods have been employed in the quantum chemistry society and tens of trajectories (even only one trajectory) sometimes have been employed to extract the picture of reaction mechanism. However, it is still difficult for us to obtain the number of trajectories which is statistically significant because potential energy calculations are time consuming. The statistically significant result may be drastically different from the picture that was obtained from tens of trajectory calculations. Thus, it is desirable to construct a method to evaluate potential energy surface fast. We attempted to combine a local interpolation scheme, IMLS/Shepard scheme, and molecular mechanics, but the attempt is still under way.
Thus, we have undertaken a direct dynamics for a biomolecule, retinal, instead. We described the dynamics of retinal using Zhu-Nakamura formula for non-adiabatic transitions from the first (photo) exited state to the ground state. We treated all the degrees of freedom in our direct dynamics although we originally planned to describe small number of degrees of freedom icing IMLS/Shepard scheme and the other degrees of freedom using molecular mechanics. We have found that retinal (at least in gas phase) experiences two-step relaxation after the deexcitation through non-adiabatic transition.
Also, we have applied our IMLS/Shepard scheme to the O+HCl system. Large scale trajectory calculations using three potential energy surfaces have been carried out to obtain reactive differential cross sections and the results are in agreement with experiment We have found that the dynamics is determined by that in the ground state although the two excited states are in a relatively low energy region.

Research Products

• [Journal Article] Collision Energy Dependence of the O(1D)+HCl→OH+Cl(2P)Reaction Studied by Crossed Beam Scattering and Quasiclassical Trajectory Calculations on ab initio Potential Energy Surfaces (2008)
  • Author(s): Hiroshi Kohguchi, Toshinori Suzuki, Shinkoh Nanbu, Toshimasa Ishida, Gennady V. Mil'nikov, Ponmile Oloyede, Hiroki Nakamura
  • Journal Title: J. Phys. Chem. A 112 Pages: 818-825
  • Description: 「研究成果報告書概要(和文)」より
  • Peer Reviewed
• [Journal Article] Quantum Calculation of Ro-vibrational States: Methodology and DOCl Application Results (2008)
  • Author(s): H. Zhang, M. Hankel, S. C. Smith, S. Nanbu, H. Nakamura
  • Journal Title: J. Phys. Chem. A 112 Pages: 4141-4147
  • Description: 「研究成果報告書概要(和文)」より
  • Peer Reviewed
• [Journal Article] Coexcistence of distorted and undistorted closed-ring forms of photochromic 1, 2-bis(2, 5-dimethyl-3-thienyl)perfluorocyclopentene in crystal observed by FT-Raman spectroscopy (2008)
  • Author(s): K. Saita, S. Kobatake, T. Fukaminato, S. Nanbu, M. Irie, and H. Sekiya
  • Journal Title: Chem. Phys. Lett. 454 Pages: 42-48
  • Description: 「研究成果報告書概要(和文)」より
  • Peer Reviewed
• [Journal Article] 32S/33S/34S/36S Kinetic Isotopic Fractionation Effects in the reactions of OCS with OH Radical: A Theoretical Study (2008)
  • Author(s): Sebastian O. Danielache, Shinkoh Nanbu, Matthew S. Johnson, Chris Mc Linsen, and Naohiro Yoshida
  • Journal Title: Chem. Phys. Lett 450 Pages: 214-220
  • Description: 「研究成果報告書概要(和文)」より
  • Peer Reviewed
• [Journal Article] Quantum dynamical study of O(1D)+HCI reaction employing three electronic state potential energy surfaces (2008)
  • Author(s): H. Yang, K.-L. Han, S. Nanbu, H. Nakamura, G. G. Balint-Kurti, H. Zhang, S. C. Smith, M. Hankel
  • Journal Title: J. Chem. Phys. 128
  • Description: 「研究成果報告書概要(和文)」より
  • Peer Reviewed
• [Journal Article] Collision Energy Dependence of the O('D) + HCI → OH + C1(^2P) Reaction Studied by Crossed Beam Scattering and Quasiclassical Trajectory Calculations on ab initio Potential Energy Surfaces (2008)
  • Author(s): Hiroshi, Kohguchi, Toshinori, Suzuki, Shinkoh, Nanbu, Toshimasa, Ishida, Gennady, V., Mil'nikov, Ponmile, Oloyede, Hiroki, Nakamura
  • Journal Title: J. Phys. Chem. A 112 Pages: 818-825
  • Description: 「研究成果報告書概要(欧文)」より
• [Journal Article] Quantum Calculation of Ro-vibrational States : Methodology and DOCI Application Results (2008)
  • Author(s): H., Zhang, M., Hankel, S.C., Smith, S., Nanbu, H., Nakamura
  • Journal Title: J. Phys. Chem. A 112 Pages: 4141-4147
  • Description: 「研究成果報告書概要(欧文)」より
• [Journal Article] Coexcistence of distorted and undistorted closed-ring forms of photochromic 1,2-bis(2,5-dimethyl- 3-thienyl) perfluorocyclopentene in crystal observed by FT-Raman spectroscopy (2008)
  • Author(s): K., Saita, S., Kobatake, T., Fukaminato, S., Nanbu, M., Irie, H., Sekiya
  • Journal Title: Chem. Phys. Lett 454 Pages: 42-48
  • Description: 「研究成果報告書概要(欧文)」より
• [Journal Article] ^<32>S/^<33>S/^<34>S/^<36>S Kinetic Isotopic Fractionation Effects in the reactions of OCS with OH Radical : A Theoretical Study" (2008)
  • Author(s): Sebastian, O., Danielache, Shinkoh, Nanbu, Matthew, S., Johnson, Chris, McLinsen, Naohiro, Yoshida
  • Journal Title: Chem. Phys. Lett 450 Pages: 214-220
  • Description: 「研究成果報告書概要(欧文)」より
• [Journal Article] Quantum dynamical study of O((D) + HCI reaction employing three electronic state potential energy surfaces (2008)
  • Author(s): H., Yang, K.-L., Han, S., Nanbu, H., Nakamura, G.G., Balint-Kurti, H., Zhang, S.C., Smith, M., Hankel
  • Journal Title: J. Chem. Phys 128, 014308 Pages: 5-5
  • Description: 「研究成果報告書概要(欧文)」より
• [Journal Article] Collision Energy Dependence of the O (1D)+HCl→OH+Cl(2P) Reaction Studied by Crossed Beam Scattering and Quasiclassical Trajectory Calculations on ab initio Potential Energy Surfaces (2008)
  • Author(s): H. Konguchi, T. Suzuki, S. Nanbu, T. Ishida, G.V. Mil'nikov, P. Oloyede, H. Nakamura
  • Journal Title: J. Phys. Chem. A 112 Pages: 818-825
  • Peer Reviewed
• [Journal Article] Magnetic Resonance Energies of Polycyclic Aromatic Hydrocarbon Molecular Ions (2007)
  • Author(s): T. Ishida, H. Kanno and J. Aihara
  • Journal Title: Polish J. Chem. 81 Pages: 699-710
  • Description: 「研究成果報告書概要(和文)」より
  • Peer Reviewed
• [Journal Article] Bond Resonance Energy as an Indicator of Local Aromaticity (2007)
  • Author(s): Jun-ichi Aihara, Toshimasa Ishida, and Hideaki Kanno
  • Journal Title: Bull. Chem. Soc. Jpn. 80(8) Pages: 1518-1521
  • NAID: 10019848311
  • Description: 「研究成果報告書概要(和文)」より
  • Peer Reviewed
• [Journal Article] Kinetic Stability of Gold Fullerenes and the 2(N+1)^2 Rule (2007)
  • Author(s): Toshimasa Ishida, Hideaki Kanno, Jun-ichi Aihara
  • Journal Title: Bull. Chem. Soc. Jpn. 80(11) Pages: 2145-2148
  • NAID: 10019795082
  • Description: 「研究成果報告書概要(和文)」より
  • Peer Reviewed
• [Journal Article] Magnetic Resonance Energies of Heterocyclic Conjugated Molecules (2007)
  • Author(s): Jun-ichi Aihara, Hideaki Kanno, and Toshimasa Ishida
  • Journal Title: J. Phys. Chem. A 111(36) Pages: 8873-8876
  • Description: 「研究成果報告書概要(和文)」より
  • Peer Reviewed
• [Journal Article] Remarkable suppression of the excited-state double-proton transfer in the 7-azaindole dimer due tosubstitution of the dimethylamino group studied by electronic spectroscopy in the gas phase (2007)
  • Author(s): X. Zhang, Y. Komoto, K. Sakota, M. Nakagami, T. Shinmyozu, S. Nanbu, H. Nakano, H. Sekiya
  • Journal Title: Chem. Phys. Lett. 443 Pages: 194-198
  • Description: 「研究成果報告書概要(和文)」より
  • Peer Reviewed
• [Journal Article] Bisindolylmaleimides with Large Stokes Shift and Lasting Chemiluminescence Properties (2007)
  • Author(s): Manabu Nakazono, Shinkoh Nanbu, Akihiro Uesaki, Ryoichi Kuwano, Manabu Kashiwabara, and Kiyoshi Zaitsu
  • Journal Title: Organic Letters 9 Pages: 3583-3586
  • Description: 「研究成果報告書概要(和文)」より
  • Peer Reviewed
• [Journal Article] Magnetic Resonance Energies of Polycyclic Aromatic Hydrocarbon Molecular Ions (2007)
  • Author(s): T., Ishida, H., Kanno, J., Aihara
  • Journal Title: Polish J. Chem 81 Pages: 699-710
  • Description: 「研究成果報告書概要(欧文)」より
• [Journal Article] Bond Resonance Energy as an Indicator of Local Aromaticity (2007)
  • Author(s): Jun-ichi, Aihara, Toshimasa, Ishida, Hideaki, Kanno
  • Journal Title: Bull. Chem. Soc. Jpn 80(8) Pages: 1518-1521
  • NAID: 10019848311
  • Description: 「研究成果報告書概要(欧文)」より
• [Journal Article] Kinetic Stability of Gold Fullerenes and the 2(N+1)^2 Rule (2007)
  • Author(s): Toshimasa, Ishida, Hideaki, Kanno, Jun-ichi, Aihara
  • Journal Title: Bull. Chem. Soc. Jpn 80(11) Pages: 2145-2148
  • NAID: 10019795082
  • Description: 「研究成果報告書概要(欧文)」より
• [Journal Article] Magnetic Resonance Energies of Heterocyclic Conjugated Molecules (2007)
  • Author(s): Jun-ichi, Aihara, Hideaki, Kanno, Toshimasa, Ishida
  • Journal Title: J. Phys. Chem. A 111(36) Pages: 8873-8876
  • Description: 「研究成果報告書概要(欧文)」より
• [Journal Article] Remarkable suppression of the excited-state double-proton transfer in the 7-azaindole dimer due to substitution of the dimethylamino group studied by electronic spectroscopy in the gas phase (2007)
  • Author(s): X., Zhang, Y., Komoto, K., Sakota, M., Nakagami, T., Shinmyozu, S., Nanbu, H. Nakano, H., Sekiya
  • Journal Title: Chem. Phys. Lett 443 Pages: 194-198
  • Description: 「研究成果報告書概要(欧文)」より
• [Journal Article] Bisindolylmaleimides with Large Stokes Shift and Lasting Chemiluminescence Properties (2007)
  • Author(s): Manabu, Nakazono, Shinkoh, Nanbu, Akihiro, Uesaki, Ryoichi, Kuwano, Manabu, Kashiwabara, Kiyoshi, Zaitsu
  • Journal Title: Organic Letters 9 Pages: 3583-3586
  • Description: 「研究成果報告書概要(欧文)」より
• [Journal Article] Polycyclic Aromatic Hydrocarbon Molecular Ions (2007)
  • Author(s): T. Ishida, H. Kanno and J. Aihara
  • Journal Title: Polish J. Chem. 81 Pages: 699-710
  • Peer Reviewed
• [Journal Article] Bond Resonance Energy as an Indicator of Local Aromaticity (2007)
  • Author(s): Jun-ichi Aihara, Toshimasa Ishida, and Hideaki Kanno
  • Journal Title: Bull. Chem. Soc. Jpn. 80 Pages: 1518-1521
  • NAID: 10019848311
  • Peer Reviewed
• [Journal Article] Kinetic Stability of Gold Fullerenes and the 2 (N+1) 2 Rule (2007)
  • Author(s): Toshimasa Ishida, Hideaki Kanno, Jun-ichi Aihara
  • Journal Title: Bull. Chem. Soc. Jpn. 80 Pages: 2145-2148
  • NAID: 10019795082
  • Peer Reviewed
• [Journal Article] Magnetic Resonance Energies of Heterocyclic Conjugated Molecules (2007)
  • Author(s): Jun-ichi Aihara, Hideaki Kanno, and Toshimasa Ishida
  • Journal Title: J. Phys. Chem. A 111 Pages: 8873-8876
  • Peer Reviewed
• [Journal Article] Atomic hydrogen transmission through five-membered carbon ring by the mechanism of nonadiabatic tunneling (2006)
  • Author(s): Shinkoh NANBU, Toshimasa ISHIDA, and Hiroki NAKAMURA
  • Journal Title: Chem. Phys. 324(2-3) Pages: 721-732
  • Description: 「研究成果報告書概要(和文)」より
  • Peer Reviewed
• [Journal Article] Tunneling Splitting of Energy Levels and Rotational Constants in the Vinyl Radical C_2H_3 (2006)
  • Author(s): Gennady V. Mil'nikov, Toshimasa Ishida, Hiroki Nakamura
  • Journal Title: J. Phys. Chem. A. 110 Pages: 5430-5435
  • Description: 「研究成果報告書概要(和文)」より
  • Peer Reviewed
• [Journal Article] Ab initio nonadiabatic quantum dynamics of cyclohexadiene/hexatriene ultrafast photoisomerization (2006)
  • Author(s): Hiroyuki Tamura, Shinko Nanbu, Toshimasa Ishida and Hiroki Nakamura
  • Journal Title: J. Chem. Phys. 124
  • Description: 「研究成果報告書概要(和文)」より
  • Peer Reviewed
• [Journal Article] Laser control of reactions of photoswitching functional molecules (2006)
  • Author(s): Hiroyuki Tamura, Shinko Nanbu, Toshimasa Ishida and Hiroki Nakamura
  • Journal Title: J. Chem. Phys. 125
  • Description: 「研究成果報告書概要(和文)」より
  • Peer Reviewed
• [Journal Article] The vibrational structure of the X^1A_1-A^1B_1 and A^1B_1-B^1A_1 of band systems of GeH_2/GeD_2 based on global potential energy surfaces (2006)
  • Author(s): Ikuo Tokue, Shingo Ebina, Megumi Kanai and Shinkoh Nanbu
  • Journal Title: J. Chem. Phys. 126
  • Description: 「研究成果報告書概要(和文)」より
  • Peer Reviewed
• [Journal Article] Theoretical transition probabilities for A^1Π-X^1Σ^+ system of AINC and AICN isomers based onglobal potential energy surfaces (2006)
  • Author(s): Ikuo Tokue and Shinkoh Nanbu
  • Journal Title: J. Chem. Phys. 124 Pages: 224301-224311
  • Description: 「研究成果報告書概要(和文)」より
  • Peer Reviewed
• [Journal Article] HOCI Ro-Vibrational Bound-State Calculations for Nonzero Total Angular Momentum (2006)
  • Author(s): Hong Zhang, Sean C. Smith, Shinkoh Nanbu, and Hiroki Nakamura
  • Journal Title: J. Phys. Chem. A 110 Pages: 5468-5474
  • Description: 「研究成果報告書概要(和文)」より
  • Peer Reviewed
• [Journal Article] Isotope effects in the dissociation of B^1A_1 state of SiH_2, SiHD, and SiD_2 using three-dimensional wave packet propagation (2006)
  • Author(s): Ikuo Tokue, Katsuyoshi Yamasaki, and Shinkoh Nanbu
  • Journal Title: J. Chem. Phys. 124 Pages: 114308-114318
  • Description: 「研究成果報告書概要(和文)」より
  • Peer Reviewed
• [Journal Article] Theoretical study of the water-induced oxidation reaction on the bare Si surface H_2O+Si(100)-(2x1) (2006)
  • Author(s): Hidekazu Watanabe, Shinkoh Nanbu, Zhi-Hong Wang, Jun Maki, Tsuneo Urisu, Mutsumi Aoyagi, and Kenta Ooi
  • Journal Title: Chem. Phys. Lett. 424 Pages: 133-138
  • Description: 「研究成果報告書概要(和文)」より
  • Peer Reviewed
• [Journal Article] Atomic hydrogen transmission through five-membered carbon ring by the mechanism of nonadiabatic tunneling (2006)
  • Author(s): Shinkoh, NANBU, Toshimasa, ISHIDA, Hiroki, NAKAMURA
  • Journal Title: Chem. Phys 324(2-3) Pages: 721-732
  • Description: 「研究成果報告書概要(欧文)」より
• [Journal Article] Tunneling Splitting of Energy Levels and Rotational Constants in the Vinyl Radical C_2H_3 (2006)
  • Author(s): Gennady, V., Mil'nikov, Toshimasa, Ishida, Hiroki, Nakamura
  • Journal Title: J. Phys. Chem. A 110 Pages: 5430-5435
  • Description: 「研究成果報告書概要(欧文)」より
• [Journal Article] Ab initio nonadiabatic quantum dynamics of cyclohexadiene/hexatriene ultrafast photoisomerization (2006)
  • Author(s): Hiroyuki, Tamura, Shinko, Nanbu, Toshimasa, Ishida, Hiroki, Nakamura
  • Journal Title: J. Chem. Phys 124 Pages: 84313-84313
  • Description: 「研究成果報告書概要(欧文)」より
• [Journal Article] Laser control of reactions of photoswitching functional molecules (2006)
  • Author(s): Hiroyuki, Tamura, Shinko, Nanbu, Toshimasa, Ishida, Hiroki, Nakamura
  • Journal Title: J. Chem. Phys 125 Pages: 34307-34307
  • Description: 「研究成果報告書概要(欧文)」より
• [Journal Article] The vibrational structure of the X^1A_1-A^1B_1 and A^1B_1-B^1A_1 of band systems of GeH_2/GeD_2 based on global potential energy surfaces (2006)
  • Author(s): Ikuo, Tokue, Shingo, Ebina, Megumi, Kanai, Shinkoh, Nanbu
  • Journal Title: J. Chem. Phys 126, 044313 Pages: 10-10
  • Description: 「研究成果報告書概要(欧文)」より
• [Journal Article] Theoretical transition probabilities for A^1II-X ΣE^+ system of AINC and A1CN isomers based on global potential energy surfaces (2006)
  • Author(s): Ikuo, Tokue, Shinkoh, Nanbu
  • Journal Title: J. Chem. Phys 124 Pages: 224301-224311
  • Description: 「研究成果報告書概要(欧文)」より
• [Journal Article] HOC1 Ro-Vibrational Bound-State Calculations for Nonzero Total Angular Momentum (2006)
  • Author(s): Hong, Zhang, Sean, C., Smith, Shinkoh, Nanbu, Hiroki, Nakamura
  • Journal Title: J. Phys. Chem. A 110 Pages: 5468-5474
  • Description: 「研究成果報告書概要(欧文)」より
• [Journal Article] Isotope effects in the dissociation of B^1A_1, state of SiH_2, SiHD, SiD_2 using three-dimensional wave packet propagation (2006)
  • Author(s): Ikuo, Tokue, Katsuyoshi, Yamasaki, Shinkoh, Nanbu
  • Journal Title: J. Chem. Phys 124 Pages: 114308-114318
  • Description: 「研究成果報告書概要(欧文)」より
• [Journal Article] Theoretical study of the water-induced oxidation reaction on the bare Si surface H_2O + Si(100)-(2x1) (2006)
  • Author(s): Hidekazu, Watanabe, Shinkoh, Nanbu, Zhi-Hong, Wang, Jun, Maki, Tsuneo, Urisu, Mutsumi, Aoyagi, Kenta, Ooi
  • Journal Title: Chem. Phys. Lett 424 Pages: 133-138
  • Description: 「研究成果報告書概要(欧文)」より
• [Journal Article] Atomic hydrogen transmission through five-membered carbon ring by the mechanism of nonadiabatic tunneling (2006)
  • Author(s): Shinkoh NANBU, Toshimasa ISHIDA, Hiroki NAKAMURA
  • Journal Title: Chem. Phys. 324 Pages: 721-721
• [Journal Article] Tunneling Splitting of Energy Levels and Rotational Constants in the Vinyl Radical C2H3 (2006)
  • Author(s): Gennady V.Mi1'nikov, Toshimasa Ishida, Hiroki Nakamura
  • Journal Title: J. Phys. Chem. A. 110 Pages: 5430-5430
• [Journal Article] Ab initio nonadiabatic quantum dynamics of cyclohexadiene/hexatriene ultrafast photoisomerization (2006)
  • Author(s): Hiroyuki Tamura, Shinko Nanbu, Toshimasa Ishida, Hiroki Nakamura
  • Journal Title: J. Chem. Phys. 124 Pages: 84313-84313
• [Journal Article] Laser control of reactions of photoswitching functional molecules (2006)
  • Author(s): Hiroyuki Tamura, Shinko Nanbu, Toshimasa Ishida, Hiroki Nakamura
  • Journal Title: J. Chem. Phys. 125 Pages: 34307-34307
• [Journal Article] A theoretical study of Cyclohexadiene/Hexatriene photochemical interconversion: multireference configuration interaction potential energy surfaces and transition probabilities for the radiationless decays (2005)
  • Author(s): Hiroyuki Tamura, Shinko Nanbu, Hiroki Nakamura, and Toshimasa Ishida
  • Journal Title: Chem. Phys. Lett. 401(4-6) Pages: 487-491
  • Description: 「研究成果報告書概要(和文)」より
  • Peer Reviewed
• [Journal Article] Aromaticity of Planar Boron Clusters Confirmed (2005)
  • Author(s): Jun-ichi Aihara, Hideaki Kanno, and Toshimasa Ishida
  • Journal Title: J. Am. Chem. Soc. 127 Pages: 13324-13330
  • Description: 「研究成果報告書概要(和文)」より
  • Peer Reviewed
• [Journal Article] Theoretical study of the oxidation reaction for the H atom-induced water-terminated Si surface 2H+H_2O/Si(100)-(2x1) (2005)
  • Author(s): Hidekazu Watanabe, Shinkoh Nanbu, Zhi-Hong Wang, Jun Maki, Tsuneo Urisu, Mutsumi Aoyagi, and Kenta Ooi
  • Journal Title: Chem. Phys. Lett. 412 Pages: 347-352
  • Description: 「研究成果報告書概要(和文)」より
  • Peer Reviewed
• [Journal Article] Fabrication of avidin single molecular layer on silicon oxide surfaces and formation of tethered lipid bilayer membranes (2005)
  • Author(s): R. Tero, N. Misawa, H. Watanabe, S. Yamamura, S. Nambu, Y. Nonogaki and T. Urisu
  • Journal Title: e-J. Surf. Sci. Nanotech. 3 Pages: 237-243
  • Description: 「研究成果報告書概要(和文)」より
  • Peer Reviewed
• [Journal Article] Ab Initio calculated structures of conformers for 1,3-dimethoxy-p-tert-butylcalix[4]crown-5-ethercomplexed with potassium cation (2005)
  • Author(s): Jong-In Choe, Suk-Kyu Chang, Sik Lee, and Shinkoh Nanbu
  • Journal Title: J. Mol. Struct.: THEOCHEM 722 Pages: 117-123
  • Description: 「研究成果報告書概要(和文)」より
  • Peer Reviewed
• [Journal Article] Vibrational energies for the X^1A_1, A^1B_1, and B^1A_1 states of SiH_2/SiD_2 and related transition probabilities based on global potential energy surfaces (2005)
  • Author(s): Ikuo Tokue, Katsuyoshi Yamasaki, and Shinkoh Nanbu
  • Journal Title: J. Chem. Phys. 122 Pages: 144307-144316
  • Description: 「研究成果報告書概要(和文)」より
  • Peer Reviewed
• [Journal Article] Theoretical transition probabilities for the A^2A_1-X^2B_1 system of H_2O^+ and D_2O^+ and related Franck-Condon factors based on global potential energy surfaces (2005)
  • Author(s): Ikuo Tokue, Katsuyoshi Yamasaki, Satoshi Minamino, and Shinkoh Nanbu
  • Journal Title: J. Theo. Comp. Chem. 4 Pages: 225-245
  • Description: 「研究成果報告書概要(和文)」より
  • Peer Reviewed
• [Journal Article] Assignment of surface IR absorption spectra observed in the oxidation reactions: 2H+H_2O/Si(100)and H_2O+H/Si(100) (2005)
  • Author(s): Z.-H. Wang, T. Urisu, H. Watanabe, K. Ooi, G. R. Rao, S. Nanbu, J. Maki, and M. Aoyagi,
  • Journal Title: Surface Science 575 Pages: 330-342
  • Description: 「研究成果報告書概要(和文)」より
  • Peer Reviewed
• [Journal Article] らせん不斉を有する縮合芳香族分子の簡便な合成法および理論円二色性スペクトルを用いた絶対配置決定法巻8号 (2005)
  • Author(s): 田中康隆、渡辺真志、石田俊正
  • Journal Title: 有機合成有機合成化学協会誌 63(8) Pages: 798-806
  • Description: 「研究成果報告書概要(和文)」より
  • Peer Reviewed
• [Journal Article] A theoretical study of Cycloheacadiene/Hexatriene photochemical interconversion : multireference configuration interaction potential energy surfaces and transition probabilities for the radiationless decays (2005)
  • Author(s): Hiroyuki, Tamura, Shinko, Nanbu, Hiroki, Nakamura, Toshimasa, Ishida
  • Journal Title: Chem. Phys. Lett 401(4-6) Pages: 487-491
  • Description: 「研究成果報告書概要(欧文)」より
• [Journal Article] Aromaticity of Planar Boron Clusters Confirmed (2005)
  • Author(s): Jun-ichi, Aihara^<a,*>, Hideaki, Kanna^a, Toshimasa, Ishida
  • Journal Title: J. Am. Chem. Soc 127 Pages: 13324-13330
  • Description: 「研究成果報告書概要(欧文)」より
• [Journal Article] Theoretical study of the oxidation reaction for the H atom-induced water-terminated Si surface 2H + H_2O/Si(100)-(2x1) (2005)
  • Author(s): Hidekazu, Watanabe, Shinkoh, Nanbu, Zhi-Hong, Wang, Jun, Maki, Tsuneo, Urisu, Mutsumi, Aoyagi, Kenta, Ooi
  • Journal Title: Chem. Phys. Lett 412 Pages: 347-352
  • Description: 「研究成果報告書概要(欧文)」より
• [Journal Article] Fabrication of avidin single molecular layer on silicon oxide surfaces and formation of tethered lipid bilayer membranes (2005)
  • Author(s): R., Tem, N., Misawa, H., Watanabe, S., Yamamura, S., Nambu, Y., Nonogaki, T., Urisu
  • Journal Title: e-J. Surf. Sci.Nanotech 3 Pages: 237-243
  • Description: 「研究成果報告書概要(欧文)」より
• [Journal Article] Ab Initio calculated structures of conformers for 1,3-dimethoxy-p-tert-butylcalix [4] crown-5-ether complexed with potassium cation (2005)
  • Author(s): Jong-In, Choe, Suk-Kyu, Chang, Sik, Lee, Shinkoh, Nanbu
  • Journal Title: J. Mol. Struct. : THEOCHEM 722 Pages: 117-123
  • Description: 「研究成果報告書概要(欧文)」より
• [Journal Article] Vibrational energies for the X^1A_1, A^1B_1, and BIAI states of SiH_2/SiD_2 and related transition probabilities based on global potential energy surfaces (2005)
  • Author(s): Ikuo, Tokue, Katsuyoshi, Yamasaki, Shinkoh, Nanbu
  • Journal Title: J. Chem. Phys 122 Pages: 144307-144316
  • Description: 「研究成果報告書概要(欧文)」より
• [Journal Article] Theoretical transition probabilities for the A^2A_1-X^2B_1 system of H_2O^+ and D20+ and related Franck-Condon factors based on global potential energy surfaces (2005)
  • Author(s): Ikuo, Tokue, Katsuyoshi, Yamasaki, Satoshi, Minamino, Shinkoh, Nanbu
  • Journal Title: J. Theo. Comp. Chem 4 Pages: 225-245
  • Description: 「研究成果報告書概要(欧文)」より
• [Journal Article] Assignment of surface IR absorption spectra observed in the oxidation reactions : 2H + H_2O/Si(100) and H_2O + H/Si(100) (2005)
  • Author(s): Z.-H., Wang, T., Urisu, H., Watanabe, K., Ooi, G.R., Rao, S., Nanbu, J., Maki, M., Aoyagi
  • Journal Title: Surface Science 575 Pages: 330-342
  • Description: 「研究成果報告書概要(欧文)」より
• [Journal Article] One-pot Synthesis of Fused Aromatics possessing Helical Chirality and Assignment of Absolute Configuration Asssisted by Theoretical Circular Dichroism, (In Japanese) (2005)
  • Author(s): Yasutaka, Tanaka, Masashi, Watanabe, Toshimasa, Ishida
  • Journal Title: Journal of Synthetic Organic Chemistry, Japan 63(8) Pages: 798-806
  • Description: 「研究成果報告書概要(欧文)」より
• [Journal Article] Photodisociation and Isotope effect of N_2O, (in Japanese) (2005)
  • Author(s): Shinkoh, Nanbu
  • Journal Title: Chapter 1, "Chemistry in Atomsphere - an approach by molecular science" Pages: 19-19
  • Description: 「研究成果報告書概要(欧文)」より
• [Journal Article] Aromaticity of Planar Boron Clusters Confirmed (2005)
  • Author(s): J.Aihara, H.Kanno, T.Ishida
  • Journal Title: J.Am.Chem.Soc 127 Pages: 13324-13330
• [Journal Article] らせん不正を有する宿業芳香族分子の簡便な合成法および理論円二色性スペクトルを用いた絶対配置決定法 (2005)
  • Author(s): 甲中康隆, 渡辺真志, 石田俊正
  • Journal Title: 有機合成有機合成化学協会誌 63・8 Pages: 798-806
• [Journal Article] A theoretical study of Cyclohexadiene/Hexatriene photochemical interconversion : multireference configuration interaction potential energy surfaces and transition probabilities for the radiationless decays (2005)
  • Author(s): H.Tamura, S.Nanbu, H.Nakamura, T.Ishida
  • Journal Title: Chem.Phys.Lett. 401・4-6 Pages: 487-491
• [Journal Article] Aromatic character of annelated dimethyldihydropyrenes (2004)
  • Author(s): Jun-ichi Aihara and Toshimasa Ishida
  • Journal Title: J. Phys. Org. Chem. 17(5) Pages: 393-398
  • Description: 「研究成果報告書概要(和文)」より
  • Peer Reviewed
• [Journal Article] Possible molecular hydrogen formation mediated by the inner and outer carbon atoms of typical PAH cations (2004)
  • Author(s): Mutsumi Hirama, Toshimasa Ishida and Jun-ichi Aihara
  • Journal Title: Chem. Phys. 305 Pages: 307-316
  • Description: 「研究成果報告書概要(和文)」より
  • Peer Reviewed
• [Journal Article] One-pot Synthesis of Helical Aromatics: Stereoselectivity, Stability against Racemization, and Assignment of Absolute Configuration assisted by Experimental and Theoretical Circular Dichroism (2004)
  • Author(s): Masashi Watanabe, Hiroshi Suzuki, Yasutaka Tanaka, Toshimasa Ishida, Tatsuo Oshikawa, Akiyoshi Tori-i
  • Journal Title: J. Org. Chem 69(23) Pages: 7794-7801
  • Description: 「研究成果報告書概要(和文)」より
  • Peer Reviewed
• [Journal Article] Special issue: Quantum Chemistry Literature Database (2004)
  • Author(s): H. Hosoya, et. al.
  • Journal Title: J. Mole. Struc. THEOCHEM 669
  • Description: 「研究成果報告書概要(和文)」より
  • Peer Reviewed
• [Journal Article] Analysis of the Ultraviolet Absorption Cross Sections of Six Nitrous Oxide Isotopomers using 3D Wavepacket Propagation (2004)
  • Author(s): Shinkoh Nanbu and Matthew S. Johnson,
  • Journal Title: J. Phys. Chem. A 108 Pages: 8905-8913
  • Description: 「研究成果報告書概要(和文)」より
  • Peer Reviewed
• [Journal Article] Ab Initio Study of Complexation Behavior of p-tert-Butylcalix[5]arene Derivative toward Alkyl Ammonium Cations (2004)
  • Author(s): Jong-In Choe, Sang rwHOyun Lee, Dong-Suk Oh, Suk-Kyu Chang, and Shinkoh Nanbu
  • Journal Title: Bull. Korean Chem. Soc. 25 Pages: 190-194
  • Description: 「研究成果報告書概要(和文)」より
  • Peer Reviewed
• [Journal Article] Three Pairs of Doublet Bands Assigned to Scissors Modes of SiH_2 on Si(100)Surfaces Observed in Several H_2O-induced Oxidation systems (2004)
  • Author(s): Z.-H. Wang, T. Urisu, S. Nanbu, J. Maki, M. Aoyagi, H. Watanabe, and K. Ooi
  • Journal Title: Phys. Rev. B 69
  • Description: 「研究成果報告書概要(和文)」より
  • Peer Reviewed
• [Journal Article] Theoretical analysis of the oxygen insertion process in the oxidation reactions of H_2O+H/Si(100)Surface and 2H+H_2O/Si(100): a molecular orbital calculation and an analysis of tunneling reaction (2004)
  • Author(s): H. Watanabe, S. Nanbu, J. Maki, Z.-H. Wang, T. Urisu, M. Aoyagi, and K. Ooi
  • Journal Title: Chem. Phys. Lett 383, Pages: 523-527
  • Description: 「研究成果報告書概要(和文)」より
  • Peer Reviewed
• [Journal Article] Aromatic character of annelated dimethyldihydropyrenes (2004)
  • Author(s): Jun-ichi, Aihara, Toshimasa, Ishida
  • Journal Title: J. Phys. Org. Chem 17(5) Pages: 393-398
  • Description: 「研究成果報告書概要(欧文)」より
• [Journal Article] Possible molecular hydrogen formation mediated by the inner and outer carbon atoms of typical PAH cations (2004)
  • Author(s): Mutsumi, Hirama, Toshimasa, Ishida, Jun-ichi, Aihara
  • Journal Title: Chem. Phys 305 Pages: 307-316
  • Description: 「研究成果報告書概要(欧文)」より
• [Journal Article] One-pot Synthesis of Helical Aromatics : Stereoselectivity, Stability against Racemization, and Assignment of Absolute Configuration assisted by Experimental and Theoretical Circular Dichroism (2004)
  • Author(s): Masashi, Watanabe, Hiroshi, Suzuki, Yasutaka, Tanaka, Toshimasa, Ishida, Tatsuo, Oshikawa, Akiyoshi, Tori-i
  • Journal Title: J. Org. Chem 69(23) Pages: 7794-7801
  • Description: 「研究成果報告書概要(欧文)」より
• [Journal Article] Special issue : Quantum Chemistry Literature Database (2004)
  • Author(s): Hosoya, H., Yamabe, S., Hashimoto, K., Koga, N., Matsushita, T., Matsuzawa, H., Minamino, S., Nagashima, U., Nanbu, S., Nishikawa, T., Takano, K., Wasada, H., Yabushita, S., Yamamoto, S., Morokuma, K., Ohno, K., Hada, M., Honda, K., Iwata, S., Kashiwagi, H., Nagase, S., Nakatsuji, H., Noro, T., Obara, S., Okazaki, S., Osamura, Y., Tanaka, K., Yamashita, K
  • Journal Title: J. Mole. Stow. THEOCHEM 669
  • Description: 「研究成果報告書概要(欧文)」より
• [Journal Article] Analysis of the Ultraviolet Absorption Cross Sections of Six Nitrous Oxide Isotopomers using 3D Wavepacket Propagation (2004)
  • Author(s): Shinkoh, Nanbu, Matthew, S., Johnson
  • Journal Title: Memorial Festschrift for Professor Gert Billing in J. Phys. Chem. A 108 Pages: 8905-8913
  • Description: 「研究成果報告書概要(欧文)」より
• [Journal Article] Ab Initio Study of Complexation Behavior of p-tert-Butylcalix[5]arene Derivative toward Alkyl Ammonium Cations (2004)
  • Author(s): Jong-In, Choe, Sang, Hyun, Lee, Dong-Suk, Oh, Suk-Kyu, Chang, Shinkoh, Nanbu
  • Journal Title: Bull. Korean Chem. Soc 25 Pages: 190-194
  • Description: 「研究成果報告書概要(欧文)」より
• [Journal Article] Three Pairs of Doublet Bands Assigned to Scissors Modes of SiH_2 on Si(100) Surfaces Observed in Several H_2O-induced Oxidation systems (2004)
  • Author(s): Z.-H., Wang, T., Urisu, S., Nanbu, J., Maki, M., Aoyagi, H., Watanabe, K., Ooi
  • Journal Title: Phys. Rev. B 69, 045309 Pages: 5-5
  • Description: 「研究成果報告書概要(欧文)」より
• [Journal Article] Theoretical analysis of the oxygen insertion process in the oxidation reactions of H_2O + H/ Si(100) Surface and 2H + H_2O/ Si(100) : a molecular orbital calculation and an analysis of tunneling reaction (2004)
  • Author(s): H., Watanabe, S., Nanbu, J., Maki, Z.-H., Wang, T., Urisu, M., Aoyagi, K., Ooi
  • Journal Title: Chem. Phys. Lett 383 Pages: 523-527
  • Description: 「研究成果報告書概要(欧文)」より
• [Journal Article] Aromatic character of annelated dimethyldihydropyrenes (2004)
  • Author(s): J.Aihara, T.Ishida
  • Journal Title: J.Phys.Org.Chem 17・5 Pages: 393-398
• [Journal Article] Possible molecular hydrogen formation mediated by the inner and outer carbon atoms of typical PAH cations (2004)
  • Author(s): M.Hirama, T.Ishida, J.Aihara
  • Journal Title: Chem.Phys. 305・1-3 Pages: 307-316
• [Journal Article] One-pot Synthesis of Helical Aromatics : Stereoselevctivity, Stability against Racemization, and Assignment of Absolute Configuration assisted by Experimental and Theoretical Circular Dichroism (2004)
  • Author(s): M.Watanabe, H.Suzuki, Y.Tanaka, T.Ishida, T.Oshikawa, A.Tori-i
  • Journal Title: J.Org.Chem. 69・23 Pages: 7794-7801
• [Journal Article] Analysis of the Ultraviolet Absorption Cross Sections of Six Isotopically Substituted Nitrous Oxide Species Using 3D Wave Packet Propagation (2004)
  • Author(s): S.Nanbu, M.S.Johnson
  • Journal Title: J.Phys.Chem.A 108・41 Pages: 8905-8913
• [Journal Article] Bond Resonance Energy as an Indicator of Local Aromaticity
  • Author(s): Jun-ichi Aihara, Toshimasa Ishida, Hideaki Kanno
  • Journal Title: Bull. Chem. Soc. Jpn. (印刷中)
  • NAID: 10019848311
• [Journal Article] Magnetic Resonance Energies of Polycyclic Aromatic Hydrocarbon Molecular Ions
  • Author(s): 44.T.Ishida, H.Kanno, J.Aihara
  • Journal Title: Polish J. Chem. (印刷中)
• [Journal Article] Atomic hydrogen transmission through five-membered carbon ring by the mechanism of nonadiabatic tunneling
  • Author(s): S.Nanbu, T.Ishida, H.Nakamura
  • Journal Title: Chem.Phys. 印刷中
• [Journal Article] Tunneling Splitting of Energy Levels and Rotational Constants in the Vinyl Radical C_2H_3
  • Author(s): G.V.Mil'nikov, T.Ishida, H.Nakamura
  • Journal Title: J.Phys.Chem.A 印刷中
• [Presentation] 光スィッチ機能分子の反応制御 (2009)
  • Author(s): 田村宏之、南部伸孝、石田俊正、中村宏樹
  • Organizer: 分子構造総合討論会2006
  • Place of Presentation: 静岡
  • Year and Date: 2009-06-21
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] 生体分子の非断熱遷移動力学 (2008)
  • Author(s): 石田 俊正、南部 伸孝、中村 宏樹
  • Organizer: 文部科学省「最先端・高性能汎用スーパーコンピュータの開発利用」プロジェクト 次世代ナノ統合シミュレーションソフトウェアの研究開発 第2回公開シンポジウム
  • Place of Presentation: 岡崎
  • Year and Date: 2008-03-05
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] 非断熱現象を利用した分子設計 (2008)
  • Author(s): 南部伸孝, 石田俊正, 徳江郁雄, 中村宏樹
  • Organizer: 文部科学省「最先端・高性能汎用スーパーコンピュータの開発利用」プロジェクト 次世代ナノ統合シミュレーションソフトウェアの研究開発 第2回公開シンポジウム
  • Place of Presentation: 岡崎
  • Year and Date: 2008-03-05
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Nonadiabatic ab initio dynamics of biomolecules (2008)
  • Author(s): Toshimasa, Ishida, Shinkoh, Nanbu, Hiroki, Nakamura
  • Organizer: The second open symposium of Next-Generation Integrated Nanoscience, "Development & Application of Advanced High-Performance Supercomputer" Project of Ministry of Education, Science and Technology (P72)
  • Place of Presentation: Okazaki
  • Year and Date: 2008-03-05
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] Molecular Design employing non-adiabatic phenomena (2008)
  • Author(s): Shinkoh, Nanbu, Toshimasa, Ishida, Ikuo, Tokue, Hiroki, Nakamura
  • Organizer: The second open symposium of Next-Generation Integrated Nanoscience, "Development & Application of Advanced High-Performance Supercomputer" Project of Ministry of Education, Science and Technology (P73)
  • Place of Presentation: Okazaki
  • Year and Date: 2008-03-05
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] 生体分子の非断熱遷移動力学 (2007)
  • Author(s): 石田 俊正、南部 伸孝、中村 宏樹
  • Organizer: 第5回福井謙一記念研究センターシンポジウム
  • Place of Presentation: 京都
  • Year and Date: 2007-12-13
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Nonadiabatic ab initio dynamics of biomolecules (2007)
  • Author(s): Toshimasa, Ishida, Shinkoh, Nanbu, Hiroki, Nakamura
  • Organizer: The 5th symposium of Fukui Institute for Fundamental Chemistry, Kyoto University(P01)
  • Place of Presentation: Kyoto
  • Year and Date: 2007-12-13
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] Chracterization of Chemiluminescence of Polyphenol Dendrimers with a Aromatic Rings and a Linear Alkyl Chain as the Core Molecule (2007)
  • Author(s): Hiroki, Agawa, Manabu, Nakazono, Shinkoh, Nanbu, Kiyoshi, Zaitsu
  • Organizer: The 23th General Meeting of Kyushu Branch of Japan Pharmaceutical Society (Abstract p.137)
  • Place of Presentation: Kumamoto
  • Year and Date: 2007-12-10
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] Phosphorescence and Chemiluminescence of Bisindolylmaleimide Derivatives (2007)
  • Author(s): Manabu, Nakazono, Akihiro, Uesaki, Shinkoh, Nanbu, Kiyoshi, Zaitsu
  • Organizer: The 23th General Meeting of Kyushu Branch of Japan Pharmaceutical Society (Abstract p.138)
  • Place of Presentation: Kumamoto
  • Year and Date: 2007-12-09
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] Theoretical study on photoisomerization of cyclohexadiene to hexatriene (2007)
  • Author(s): Toshimasa Ishida
  • Organizer: The 2nd Japan-Czech-Slovakia Joint Symposium for Theoretical/Computational Chemistry
  • Place of Presentation: 京都
  • Year and Date: 2007-12-08
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Theoretical study on photoisomerization of cyclohexadiene to hexatriene (2007)
  • Author(s): Toshimasa, Ishida
  • Organizer: The 2nd Japan-Czech-Slovakia Joint Symposium for Theoretical/Computational Chemistry
  • Place of Presentation: Kyoto
  • Year and Date: 2007-12-08
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] Synthesis and Chracterization of Chemiluminescence of Bisindolylmaleimide Derivatives (2007)
  • Author(s): Manabu, Nakazono, Akihiro, Uesaki, Shinkoh, Nanbu, Kiyoshi, Zaitsu
  • Organizer: The 25'h Medicinal Chemistry Syrnosiuin (Abstract p.84-85)
  • Place of Presentation: Nagoya
  • Year and Date: 2007-11-04
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] Ab initio non-adiabatic dynamics of retinal: two step: relaxation on the ground state (2007)
  • Author(s): Toshimasa Ishida, Shinkoh Nanbu, and Hiroki Nakamura
  • Organizer: CBI学会2007年大会
  • Place of Presentation: 東広島
  • Year and Date: 2007-10-03
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Ab initio non-adiabatic dynamics of retinal : two step : relaxation on the ground state (2007)
  • Author(s): Toshimasa, Ishida, Shinkoh, Nanbu, Hiroki, Nakamura
  • Organizer: 2007 Annual Meeting of CBI Society
  • Place of Presentation: Higashi-hiroshima
  • Year and Date: 2007-10-03
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] Dynamics and control of isomerization of cyclohexadiene to hexatriene (2007)
  • Author(s): Hiroyuki Tamura, Toshimasa Ishida, Shinkoh Nanbu, and Hiroki Nakamura
  • Organizer: The 3rd Asian Pacific Conference on Theoretical and Computational Chemistry
  • Place of Presentation: 北京、中華人民共和国
  • Year and Date: 2007-09-23
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Dynamics and control of isomerization of cyclohexadiene to hexatriene (2007)
  • Author(s): Hiroyuki, Tamura, Toshimasa, Ishida, Shinkoh, Nanbu, Hiroki, Nakamura
  • Organizer: The 3rd Asian Pacific Conference on Theoretical and Computational Chemistry
  • Place of Presentation: Beijing
  • Year and Date: 2007-09-23
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] Dynamics and control of isomerization of cyclohexadiene to hexatriene (2007)
  • Author(s): Hiroyuki Tamura, Toshimasa Ishida, Shinkoh Nanbu, and Hiroki Nakamura
  • Organizer: The 3rd Asian Pacific Conference on Theoretical and Computational Chemistry
  • Place of Presentation: Beijing, China
  • Year and Date: 2007-09-23
• [Presentation] 非断熱現象を利用した分子設計 (2007)
  • Author(s): 南部伸孝, Hong Zhang, Sean C. Smith, 石田俊正, 中村宏樹
  • Organizer: 第1回分子科学討論会2007
  • Place of Presentation: 仙台
  • Year and Date: 2007-09-20
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Molecular Design employing non-adiabatic phenomena (2007)
  • Author(s): Shinkoh, Nanbu, Hong, Zhang, Sean, C., Smith, Toshimasa, Ishida, Hiroki, Nakamura
  • Organizer: The 1st Meeting of Molecular Science 2007(4E03)
  • Place of Presentation: Sendai
  • Year and Date: 2007-09-20
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] He-HCN錯体の分子間振動遷移の観測と分子間ポテンシャル (2007)
  • Author(s): 原田賢介, 南部伸孝, 田中桂一
  • Organizer: 第1回分子科学討論会2007
  • Place of Presentation: 仙台
  • Year and Date: 2007-09-19
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] 銅(I)錯体の超高速光誘起擬ヤーン・テラー構造変化に対する,励起状態のポテンシャルの準安定構造に関する理論的研究 (2007)
  • Author(s): 渡邉秀和, 岩村宗高, 南部伸孝, 田原太平
  • Organizer: 第1回分子科学討論会2007
  • Place of Presentation: 仙台
  • Year and Date: 2007-09-19
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Observation of intermolecular vibration transitions and intermolecular potential energy of the He-HCN complex (2007)
  • Author(s): Kensuke, Harada, Shinkoh, Nanbu, Keiichi, Tanaka
  • Organizer: The 1st Meeting of Molecular Science 2007
  • Place of Presentation: Sendai
  • Year and Date: 2007-09-19
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] Theoretical Study on metastable geometries on an excited state against the pseudo-Jahn-Teller deformation of a cupper (I) complex by ultrafast photoinduction (2007)
  • Author(s): Hidekazu, Watanabe, Munetaka, Iwamura, Shinkoh, Nanbu, Tahei, Tahara
  • Organizer: The 1st Meeting of Molecular Science 2007 (3P074)
  • Place of Presentation: Sendai
  • Year and Date: 2007-09-19
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] 生体分子モデル系の非断熱遷移ab initio動力学 (2007)
  • Author(s): 石田俊正・南部伸孝・中村宏樹
  • Organizer: 第1回分子科学討論会2007
  • Place of Presentation: 仙台
  • Year and Date: 2007-09-18
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] 硫化水素分子の光吸収解離過程における同位体効果 (2007)
  • Author(s): 脇川佑介, 徳江郁雄, 南部伸孝
  • Organizer: 第1回分子科学討論会2007
  • Place of Presentation: 仙台
  • Year and Date: 2007-09-18
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Nonadiabatic ab initio dynamics of model biomolecules (2007)
  • Author(s): Toshimasa, Ishida, Shinkoh, Nanbu, Hiroki, Nakamura
  • Organizer: The 1st Meeting of Molecular Science 2007(2P108)
  • Place of Presentation: Sendai
  • Year and Date: 2007-09-18
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] Isotope effects in photoabsorbed dissociation process of hydrogen sulfide (2007)
  • Author(s): Yusuke, Wakikawa, Ikuo, Tokue, Shinkoh, Nanbu
  • Organizer: The 1st Meeting of Molecular Science 2007 (2P102)
  • Place of Presentation: Sendai
  • Year and Date: 2007-09-18
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] Bisindolylmaleimide誘導体の蛍光,化学発光及びその分子科学計算 (2007)
  • Author(s): 中園 学, 南部伸孝, 柏原 学, 桑野良一, 財津 潔
  • Organizer: 第44回化学関連支部合同九州大会
  • Place of Presentation: 北九州
  • Year and Date: 2007-07-07
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Phosphorescence, Chemiluminescence and Molecular Science Computations of Bisindolylmaleimide Derivatives (2007)
  • Author(s): Manabu, Nakazono, Shinkoh, Nanbu, Manabu, Kashiwabara, Ryoichi, Kuwano, Kiyoshi, Zaitsu
  • Organizer: the 44th Joint Kyushu Meeting of Chemistry-related Branches (Abstract p.45)
  • Place of Presentation: Kitakyushu
  • Year and Date: 2007-07-07
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] Bisindolylmaleimide誘導体の蛍光及び持続性化学発光 (2007)
  • Author(s): 中園 学, 南部伸孝, 桑野良一, 柏原 学, 財津 潔
  • Organizer: 第25回生物発光化学発光研究会
  • Place of Presentation: 札幌
  • Year and Date: 2007-06-30
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Phosphorescence and Persistent Chemiluminescence of Bisindolylmaleimide Derivatives (2007)
  • Author(s): Manabu, Nakazono, Shinkoh, Nanbu, Ryoichi, Kuwano, Manabu, Kashiwabara, Kiyoshi, Zaitsu
  • Organizer: the 25th Workshop for bioluminescence and chemiluminescence (Abstract p.16)
  • Place of Presentation: Sapporo
  • Year and Date: 2007-06-30
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] レチナールモデル系の非断熱遷移ab initio動力学計算 (2007)
  • Author(s): 石田俊正・南部伸孝・中村宏樹
  • Organizer: 第23回化学反応討論会
  • Place of Presentation: 神戸
  • Year and Date: 2007-06-14
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] SOのB状態近傍の電子状態と振動構造 (2007)
  • Author(s): 徳江郁雄, 南部伸孝, 山崎勝義
  • Organizer: 第23回化学反応討論会
  • Place of Presentation: 神戸
  • Year and Date: 2007-06-14
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Nonadiabatic ab initio dynamics calculation of retinal model systems (2007)
  • Author(s): Toshimasa, Ishida, Shinkoh, Nanbu, Hiroki, Nakamura
  • Organizer: The 23"1 Symposium of Chemical Kinetics and Dynamics"(2P14)
  • Place of Presentation: Kobe
  • Year and Date: 2007-06-14
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] Electronic Structures and Vibarational Structures near the B state of SO (2007)
  • Author(s): Ikuo, Tokue, Shinkoh, Nanbu, Katsuyoshi, Yamasaki
  • Organizer: The 23'd Symposium for Chemical Kinetics and Dynamics (2P44)
  • Place of Presentation: Kobe
  • Year and Date: 2007-06-14
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] 非断熱現象を利用した分子設計 (2007)
  • Author(s): 南部伸孝・石田俊正・中村宏樹
  • Organizer: 第23回化学反応討論会
  • Place of Presentation: 神戸
  • Year and Date: 2007-06-13
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] 波束伝播法による遷移金属(M=Al,Si)シアン化物の異性化反応のダイナミクス (2007)
  • Author(s): 徳江郁雄, 南部伸孝
  • Organizer: 第23回化学反応討論会
  • Place of Presentation: 神戸
  • Year and Date: 2007-06-13
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Molecular Design employing non-adiabatic phenomena (2007)
  • Author(s): Shinkoh, Nanbu, Toshimasa, Ishida, Hiroki, Nakamura
  • Organizer: The 23rd Symposium of Chemical Kinetics and Dynamics"(1P30)
  • Place of Presentation: Kobe
  • Year and Date: 2007-06-13
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] Isomerization reaction dynamics of metal cyanide (M=Al,Si) by wave packet propagation (2007)
  • Author(s): Ikuo, Tokue, Shinkoh, Nanbu
  • Organizer: The 23th Symposium for Chemical Kinetics and Dynamics (1A4)
  • Place of Presentation: Kobe
  • Year and Date: 2007-06-13
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] 化学反応動力学に基づく物質の機能探索と反応制御 (2007)
  • Author(s): 南部伸孝
  • Organizer: ワールドフュージョン・Class Aバイオロジーセミナー
  • Place of Presentation: 東京
  • Year and Date: 2007-06-05
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Function search and reaction control by reaction dynamics (2007)
  • Author(s): Shinkoh, Nanbu
  • Organizer: WorldFusion Class A Biology Seminar (http://www.w-fimion.com/J/index.html)
  • Place of Presentation: Tokyo
  • Year and Date: 2007-06-05
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] ポテンシャル生成と反応動力学計算 (2007)
  • Author(s): 石田 俊正
  • Organizer: 九州大学情報基盤センター主催 先駆的科学計算に関するフォーラム2007
  • Place of Presentation: 福岡
  • Year and Date: 2007-03-13
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Generation of potential energy surfaces and computation of reaction dynamics (2007)
  • Author(s): Toshimasa, Ishida
  • Organizer: Forum on frontier scientific computations by Research Institute for Information Technology of Kyushu University : computation in molecular science "Research activity report and toward to introduction of new computer system" Fukuoka
  • Place of Presentation: Invited
  • Year and Date: 2007-03-13
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] 非断熱現象を利用した分子設計 (2007)
  • Author(s): 南部 伸孝、石田 俊正
  • Organizer: 文部科学省「最先端・高性能汎用スーパーコンピュータの開発利用」プロジェクト 次世代ナノ統合シミュレーションソフトウェアの研究開発第1回公開シンポジウム
  • Place of Presentation: 岡崎
  • Year and Date: 2007-03-05
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] 2次チャープ法を用いたレーザー光により最適反応制御 (2007)
  • Author(s): 南部 伸孝、石田 俊正
  • Organizer: 文部科学省「最先端・高性能汎用スーパーコンピュータの開発利用」プロジェクト 次世代ナノ統合シミュレーションソフトウェアの研究開発第1回公開シンポジウム
  • Place of Presentation: 岡崎
  • Year and Date: 2007-03-05
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Molecular Design employing non-adiabatic phenomena (2007)
  • Author(s): Shinkoh, Nanbu, Toshimasa, Ishida
  • Organizer: 1st open symposium of Next-Generation Integrated Nanoscience, "Development & Application of Advanced High-Performance Supercomputer" Project of Ministry of Education, Science and Technology(pl 5)
  • Place of Presentation: Okazaki
  • Year and Date: 2007-03-05
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] Optimum reaction control by laser radiation employing the second-order chirping method (2007)
  • Author(s): Shinkoh, Nanbu, Toshimasa, Ishida
  • Organizer: 1st open symposium of Next-Generation Integrated Nanoscience, "Development & Application of Advanced High-Performance Supercomputer" Project of Ministry of Education, Science and Technology(p16)
  • Place of Presentation: Okazaki
  • Year and Date: 2007-03-05
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] コア分子として芳香族環及び直鎖アルキル鎖を有するポリフェノールデンドリマーの化学発光特性 (2006)
  • Author(s): 阿川寛樹, 中園 学, 南部伸孝, 財津 潔
  • Organizer: 第23回日本薬学会九州支部大会
  • Place of Presentation: 熊本
  • Year and Date: 2006-12-10
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Bisindolylmaleimide誘導体の蛍光・化学発光 (2006)
  • Author(s): 中園 学, 上崎啓裕, 南部伸孝, 財津 潔
  • Organizer: 第23回日本薬学会九州支部大会
  • Place of Presentation: 熊本
  • Year and Date: 2006-12-09
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] シクロヘキサン-ヘキサトリエン異性化反応の動力学と制御 (2006)
  • Author(s): 田村 宏之、南部 伸孝、石田 俊正、中村 宏樹
  • Organizer: 福井謙一京都大学名誉教授ノーベル化学賞受賞25周年記念シンポジウム
  • Place of Presentation: 京都
  • Year and Date: 2006-11-29
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Reaction dynamics and control of cyclohexadiene-hexatriene isomerization (2006)
  • Author(s): Hiroyuki, Tamura, Shinkoh, Nanbu, Toshimasa, Ishida, Hiroki, Nakamura
  • Organizer: 25th anniversary symposium of Nobel prize winning by Professor Emeritus Kenichi Fukui (P03)
  • Place of Presentation: Kyoto
  • Year and Date: 2006-11-29
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] Bisindolylmaleimide誘導体の合成及び蛍光特性 (2006)
  • Author(s): 中園 学, 上崎啓裕, 南部伸孝, 財津 潔
  • Organizer: 第25回メディシナルケミストリーシンポジウム
  • Place of Presentation: 名古屋
  • Year and Date: 2006-11-04
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] ポテンシャル面での動力学 生成法からフォトクロミズムモデル系まで (2006)
  • Author(s): 石田俊正
  • Organizer: 数理化学研究室公開セミナー
  • Place of Presentation: 仙台
  • Year and Date: 2006-10-19
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Reaction dynamics on potential energy surfaces-From their generation to photochromism model systems (2006)
  • Author(s): Toshimasa, Ishida
  • Organizer: Mathematical chemistry group open seminar Tohoku Univ.
  • Place of Presentation: Sendai
  • Year and Date: 2006-10-19
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] SiCN/NCの電子状態と振動準位 (2006)
  • Author(s): 徳江郁雄, 南部伸孝
  • Organizer: 分子構造討論会2006
  • Place of Presentation: 静岡
  • Year and Date: 2006-09-23
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Electronic Structres and Vibrational Levels of SiCN/NC (2006)
  • Author(s): Ikuo, Tokue, Shinkoh, Nanbu
  • Organizer: General Meeting for Molecular Structures 2006 (4B08)
  • Place of Presentation: Shizuoka
  • Year and Date: 2006-09-23
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] 結晶状態のフォトクロミック反応と分子間相互作用の分光学的研究 (2006)
  • Author(s): 斉田謙一郎, 迫田憲治, 小畠誠也, 深港豪, 入江正浩, 南部伸孝, 関谷 博
  • Organizer: 分子構造討論会2006
  • Place of Presentation: 静岡
  • Year and Date: 2006-09-22
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Spectroscopic Stucy of Photochromic Reactions and Intermolecular Interactions in the solid phase (2006)
  • Author(s): Kenichiro, Saita, Kenji, Sabath, Seiya, Kobatake, Tsuyoshi, Fukaminato, Masahiro, Irie, Shinkoh, Nanbu, Hiroshi, Sekiya
  • Organizer: General Meeting for Molecular Structures 2006, (3P096)
  • Place of Presentation: Shizuoka
  • Year and Date: 2006-09-22
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] 非断熱現象を利用した分子設計 (2006)
  • Author(s): 南部伸孝、石田俊正、中村宏樹
  • Organizer: 分子構造総合討論会2006
  • Place of Presentation: 静岡
  • Year and Date: 2006-09-21
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Reaction control of photo-switch functioning molecules (2006)
  • Author(s): Hiroyuki, Tamura, Shinkoh, Nanbu, Toshimasa, Ishida, Hiroki, Nakamura
  • Organizer: General Meeting of Molecular Structure 2006(2P061)
  • Place of Presentation: Shizuoka
  • Year and Date: 2006-09-21
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] Molecular Design employing non-adiabatic phenomena (2006)
  • Author(s): Shinkoh, Nanbu, Toshimasa, Ishida, Hiroki, Nakamura
  • Organizer: General Meeting of Molecular Structure 2006(2P062)
  • Place of Presentation: Shizuoka
  • Year and Date: 2006-09-21
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] O(1D)+HCI->OH+CI反応の二重微分断面積に現れた微視的反応機構の解明 (2006)
  • Author(s): 高口博志, Ponmile Oloyede, Gennady Mil'nikov, 南部伸孝, 中村宏樹, 鈴木俊法
  • Organizer: 分子構造討論会2006
  • Place of Presentation: 静岡
  • Year and Date: 2006-09-20
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Clarification of Microscopic Reaction Mechanism Revealed in Doubly Differential Cross Section of O('D)+HCI -> 0H+CI Reaction, (Poster Award) (2006)
  • Author(s): Horoshi, Kohguchi, Ponmile, Oloyede, Gennady, Mil'nikov, Shinkoh, Nanbu, Hiroki, Nakamura, Toshinori, Suzuk
  • Organizer: General Meeting for Molecular Structures 2006 (1A21)
  • Place of Presentation: Shizuoka
  • Year and Date: 2006-09-20
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] ポテンシャル面:効率的生成法と光異性化反応 (2006)
  • Author(s): 石田俊正
  • Organizer: 福井センターセミナー
  • Place of Presentation: 京都
  • Year and Date: 2006-06-26
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Potential energy surfaces : efficient generation and photoisomerization (2006)
  • Author(s): Toshimasa, Ishida
  • Organizer: Fukui Institute Seminar
  • Place of Presentation: Kyoto
  • Year and Date: 2006-06-26
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] 非断熱現象を利用した分子設計 (2006)
  • Author(s): 南部伸孝・石田俊正・中村宏樹
  • Organizer: 第22回 化学反応討論会
  • Place of Presentation: 岡崎
  • Year and Date: 2006-06-09
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Molecular Design employing non-adiabatic phenomena (2006)
  • Author(s): Shinkoh, Nanbu, Toshimasa, Ishida, Hiroki, Nakamura
  • Organizer: Symposium on Chemical Kinetics and Dynamics 2006(3A2)
  • Place of Presentation: Okazaki
  • Year and Date: 2006-06-09
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] SiCN(X^2II、2Δ、2Σ)状態と振動構造 (2006)
  • Author(s): 徳江郁雄, 南部伸孝
  • Organizer: 第22回化学反応討論会2006
  • Place of Presentation: 岡崎
  • Year and Date: 2006-06-08
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] SiCN (X2II, 2A, 2L) States and Vibrational Structures (2006)
  • Author(s): Ikuo, Tokue, Shinkoh, Nanbu
  • Organizer: The 22nd Symposium for Chemical Kinetics and Dynamics (2P14)
  • Place of Presentation: Okazaki
  • Year and Date: 2006-06-08
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] GeH_2(A-X,B-X)遷移の理論研究 (2006)
  • Author(s): 金井恵美, 徳江郁雄, 南部伸孝
  • Organizer: 第22回化学反応討論会2006
  • Place of Presentation: 岡崎
  • Year and Date: 2006-06-07
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Theoretical Study of Transitions (A-X, B-X) of GeH2 (2006)
  • Author(s): Emi, Kanai, Ikuo, Tokue, Shinkoh, Nanbu
  • Organizer: The 22nd Symposium for Chemical Kinetics and Dynamics (IP22)
  • Place of Presentation: Okazaki
  • Year and Date: 2006-06-07
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] Laser control of reactions of photo-switching molecules (2006)
  • Author(s): Hiroyuki Tamura, Shinkoh Nanbu, Toshimasa Ishida, Hiroki Nakamura
  • Organizer: International Congress of Quantum Chemistry
  • Place of Presentation: Kyoto
  • Year and Date: 2006-05-23
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Laser control of reactions of photo-switching molecules (2006)
  • Author(s): Hiroyuki, Tamura, Shinkoh, Nanbu, Toshimasa, Ishida, Hiroki, Nakamura
  • Organizer: International Congress of Quantum Chemistry
  • Place of Presentation: Kyoto (BI20)
  • Year and Date: 2006-05-23
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] A local interpolation for multi potential energy surfaces (2006)
  • Author(s): Toshimasa Ishida, Shinkoh Nanbu
  • Organizer: International Congress of Quantum Chemistry
  • Place of Presentation: Kyoto
  • Year and Date: 2006-05-22
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] A local interpolation for multi potential energy surfaces (2006)
  • Author(s): Toshimasa, Ishida, Shinkoh, Nanbu
  • Organizer: International Congress of Quantum Chemistry
  • Place of Presentation: Kyoto (A117)
  • Year and Date: 2006-05-22
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] 化学反応における非断熱現象が、我々に何をもたらすか? (2006)
  • Author(s): 南部伸孝
  • Organizer: 第6回分子分光研究会
  • Place of Presentation: 福岡
  • Year and Date: 2006-05-13
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Molecular Design using Non-adiabatic phenomena (2006)
  • Author(s): Shinkoh, Nanbu
  • Organizer: Spectroscopy Workshop
  • Place of Presentation: Fukuoka
  • Year and Date: 2006-05-13
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] A new mechanism of hydrogen encapsulation by fullerenes and carbon nanotubes (2005)
  • Author(s): Shinkoh NANBU, Toshimasa ISHIDA, and Hiroki NAKAMURA
  • Organizer: Pacifichem 2005
  • Place of Presentation: Hawaii, USA
  • Year and Date: 2005-12-21
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] A new mechanism of hydrogen encapsulation by fullerenes and carbon nanotubes (2005)
  • Author(s): Shinkoh, NANBU, Toshimasa, ISHIDA, Hiroki, NAKAMURA
  • Organizer: Pacifichem 2005
  • Place of Presentation: Hawaii
  • Year and Date: 2005-12-21
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] A theoretical study of Cyclohexadiene/Hexatriene photochemical interconversion (2005)
  • Author(s): Hiroyuki Tamura, Shinko Nanbu, Hiroki Nakamura and Toshimasa Ishida
  • Organizer: Pacifichem 2005
  • Place of Presentation: Hawaii, USA
  • Year and Date: 2005-12-20
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Vibrational energies for the X, A, and B states of AINC/CN and related transition probabilities based on global potential energy surfaces (2005)
  • Author(s): 徳江郁雄, 南部伸孝
  • Organizer: PacifiChem 2005
  • Place of Presentation: Hawaii, USA
  • Year and Date: 2005-12-20
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Dissociation dynamics of the B state of silylene radical using 3D wave packet propagation (2005)
  • Author(s): 徳江郁雄, 南部伸孝
  • Organizer: PacifiChem 2005
  • Place of Presentation: Hawaii, USA
  • Year and Date: 2005-12-20
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] A theoretical study of Cyclohexadiene/Hexatriene photochemical interconversion (2005)
  • Author(s): Hiroyuki, Tamura, Shinko, Nanbu, Hiroki, Nakamura, Toshimasa, Ishida
  • Organizer: Pacifichem 2005
  • Place of Presentation: Hawaii
  • Year and Date: 2005-12-20
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] シクロヘキサジエン/ヘキサトリエンの光異性化に関する理論的研究 (2005)
  • Author(s): 田村宏之, 南部伸孝, 石田俊正, 中村宏樹
  • Organizer: 第3回京都大学福井謙一記念研究センターシンポジウム
  • Place of Presentation: 京都
  • Year and Date: 2005-11-30
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Theoretical study on photoisomerization of Cyclohexadiene/hexatriene (2005)
  • Author(s): Hiroyuki, Tamura, Shinkoh, Nanbu, Toshimasa, Ishida, Hiroki, Nakamura
  • Organizer: The 3rd symposium of Fukui Institute for Fundamental Chemistry, Kyoto University P4
  • Place of Presentation: Kyoto
  • Year and Date: 2005-11-30
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] Computing & Communications Center of Kyushu University (2005)
  • Author(s): 南部伸孝, その他数名
  • Organizer: Super-Computing 2005, -the premier international conference on high performance computing, networking and storage-in Seattle
  • Place of Presentation: Seattle, USA
  • Year and Date: 2005-11-15
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] シクロヘキサジエンの光異性化の波束動力学による研究 (2005)
  • Author(s): 田村宏之, 南部伸孝, 石田俊正, 中村宏樹
  • Organizer: 分子構造総合討論会2005
  • Place of Presentation: 東京
  • Year and Date: 2005-09-29
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Wave packet dynamics study on photoisomerization of cyclohexadiene (2005)
  • Author(s): Hiroyuki, Tamura, Shinkoh, Nanbu, Toshimasa, Ishida, Hiroki, Nakamura
  • Organizer: General Meeting of Molecular Structure 2005 3A09
  • Place of Presentation: Tokyo
  • Year and Date: 2005-09-29
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] 非断熱現象を利用した分子設計 (2005)
  • Author(s): 南部伸孝, 石田俊正, 中村宏樹
  • Organizer: 分子構造総合討論会2005
  • Place of Presentation: 東京
  • Year and Date: 2005-09-28
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Ne-HCNの内部回転遷移のミリ波ジェット分光と分子間ポテンシャルの決定 (2005)
  • Author(s): 原田賢介, 萩健介, 田中圭一, 南部伸孝
  • Organizer: 分子構造討論会2005
  • Place of Presentation: 東京
  • Year and Date: 2005-09-28
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Molecular Design employing non-adiabatic phenomena (2005)
  • Author(s): Shinkoh, Nanbu, Toshimasa, Ishida, Hiroki, Nakamura
  • Organizer: General Meeting of Molecular Structure 2005 2D14
  • Place of Presentation: Tokyo
  • Year and Date: 2005-09-28
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] Millimeter Wave Jet Spectroscopy for Intramolecular Rotational Transitions of Ne-HCN and Determination of its Intermolecular Potential Parameters (2005)
  • Author(s): Kensuke, Harada, Kensuke, Hagi, Keiichi, Tanaka, Shinkoh, Nanbu
  • Organizer: General Meeting for Molecular Structures 2005 (2P124)
  • Place of Presentation: Tokyo
  • Year and Date: 2005-09-28
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] 帯状ボリジアセチレン単一層(atomic sash)の相転移-幾何・電子構造の変化- (2005)
  • Author(s): 栖原 正典、遠藤 理、尾崎 弘行、石田 俊正、片桐 秀樹、江川 徹、河東田 道夫
  • Organizer: 分子構造総合討論会2005
  • Place of Presentation: 東京
  • Year and Date: 2005-09-27
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] 3D PESに基づくAINC/CN(X,A)状態の振動エネルギーと遷移確率(2) (2005)
  • Author(s): 徳江郁雄, 南部伸孝
  • Organizer: 分子構造討論会2005
  • Place of Presentation: 東京
  • Year and Date: 2005-09-27
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Phase transition of zonal poly diacetylene monolayer, atomic sash-Change of geometry and electronic structure (2005)
  • Author(s): Masanori, Suhara, Osamu, Endo, Hiroyuki, Ozaki, Toshimasa, Ishida, Hideki, Katagiri, Toru, Egawa, Michio, Katoda
  • Organizer: General Meeting of Molecular Structure 2005 1P177
  • Place of Presentation: Tokyo
  • Year and Date: 2005-09-27
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] Vibrational Energies and Transition Probabilities of AINC/CN(X,A) States Based on 3D PES(2) (2005)
  • Author(s): Ikuo, Tokue, Shinkoh, Nanbu
  • Organizer: General Meeting for Molecular Structures 2005 (4B07)
  • Place of Presentation: Tokyo
  • Year and Date: 2005-09-27
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] A local interpolation scheme without using ab initio derivatives: IMLS/Shepard scheme (2005)
  • Author(s): Toshimasa Ishida
  • Organizer: Czech-Japan symposium
  • Place of Presentation: Prague, Czech Republic
  • Year and Date: 2005-09-14
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] A local interpolation scheme without using ab initio derivatives : IMLS/Shepard scheme (2005)
  • Author(s): Toshimasa, Ishida
  • Organizer: Czech-Japan symposium, Prague, Czech
  • Place of Presentation: (Invited)
  • Year and Date: 2005-09-14
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] Isotopic Fractionation of Stratospheric Nitrous Oxide (2005)
  • Author(s): 南部伸孝
  • Organizer: Fifth Conference on Reaction Kinetics and Atmospheric Chemistry
  • Place of Presentation: コペンハーゲン(デンマーク)
  • Year and Date: 2005-06-15
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Isotopic Fractionation of Stratospheric Nitrous Oxide (2005)
  • Author(s): Shinkoh, Nanbu
  • Organizer: Fifth Conference on Reaction Kinetics and Atmospheric Chemistry
  • Place of Presentation: Copenhagen, Denmarck
  • Year and Date: 2005-06-15
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] 理論円二色性スペクトルによる光学活性分子の絶対配置決定 (2005)
  • Author(s): 田中 康隆、石田 俊正
  • Organizer: モレキュラーキラリティー2005
  • Place of Presentation: 千里
  • Year and Date: 2005-06-07
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Determination of absolute conformation of photoactive molecules by theoretical circular dichromism (2005)
  • Author(s): Yasutaka, Tanaka, Toshimasa, Ishida
  • Organizer: Molecular Chirality 2005, June 7 Senri
  • Place of Presentation: Osaka
  • Year and Date: 2005-06-07
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] シクロヘキサジエンの光異性化反応の理論的研究 (2005)
  • Author(s): 田村宏之、南部伸孝、中村宏樹、石田俊正
  • Organizer: 第21回 化学反応討論会
  • Place of Presentation: 吹田
  • Year and Date: 2005-06-01
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] 非断熱現象を利用した分子設計 (2005)
  • Author(s): 南部伸孝、石田俊正、中村宏樹
  • Organizer: 第21回 化学反応討論会
  • Place of Presentation: 吹田
  • Year and Date: 2005-06-01
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] 3次元 PESに基づくAINC/CN(X,A)の振動エネルギーと電子遷移確率 (2005)
  • Author(s): 徳江郁雄, 南部伸孝,
  • Organizer: 第21回化学反応討論会2005
  • Place of Presentation: 吹田
  • Year and Date: 2005-06-01
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Theoretical Study on photoisomerization of cyclohexadiene (2005)
  • Author(s): Hiroyuki, Tamura, Shinkoh, Nanbu, Hiroki, Nakamura, Toshimasa, Ishida
  • Organizer: 21st Symposium on Chemical Kinetics and Dynamics Suita
  • Place of Presentation: Osaka
  • Year and Date: 2005-06-01
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] Molecular Design employing non-adiabatic phenomena (2005)
  • Author(s): Shinkoh, Nanbu, Toshimasa, Ishida, Hiroki, Nakamura
  • Organizer: 21st Symposium on Chemical Kinetics and Dynamics Suita
  • Place of Presentation: Osaka
  • Year and Date: 2005-06-01
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] Vibrational Energies and Electronic Transition Probabilities of AINC/CN(X,A) Based on a three-dimensional PES (2005)
  • Author(s): Ikuo, Tokue, Shinkoh, Nanbu
  • Organizer: The 21st Symposium for Chemical Kinetics and Dynamics (2Q17)
  • Place of Presentation: Suita
  • Year and Date: 2005-06-01
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] 局所内挿法による複数ポテンシャルと多原子系のポテンシャル (2005)
  • Author(s): 石田 俊正、南部 伸孝、George C. Schatz
  • Organizer: 第9回理論化学討論会
  • Place of Presentation: 京都
  • Year and Date: 2005-05-17
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] シクロヘキサジエンの光異性化の反応動力学 (2005)
  • Author(s): 田村宏之、南部伸孝、中村宏樹、石田俊正
  • Organizer: 第9回理論化学討論会
  • Place of Presentation: 京都
  • Year and Date: 2005-05-17
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Multi-potential energy surfaces and polyatomics potential energy surfaces in terms of local interpolation (2005)
  • Author(s): Toshimasa, Ishida, Shinkoh, Nanbu, George, C., Schatz
  • Organizer: The 9th Theoretical Chemistry Symposium
  • Place of Presentation: Kyoto
  • Year and Date: 2005-05-17
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] Molecular reaction dynamics of photoisomerization of cyclohexadiene (2005)
  • Author(s): Hiroyuki, Tamura, Shinkoh, Nanbu, Hiroki, Nakamura, Toshimasa, Ishida
  • Organizer: The 9th Theoretical Chemistry Symposium
  • Place of Presentation: Kyoto
  • Year and Date: 2005-05-17
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] シアン化金AuCNのマイクロ波分光 (2005)
  • Author(s): 湖東 文・岡林利明・o岡林恵美・石田俊正・谷本光敏
  • Organizer: 第五回分子分光研究会
  • Place of Presentation: 東京
  • Year and Date: 2005-05-15
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Microwave spectroscopy on gold cyanide AuCN (2005)
  • Author(s): Aya, Kotoh, Toshiaki, Okabayashi, Emi, Okabayashi, Toshimasa, Ishida, Mitsutoshi, Tanimoto
  • Organizer: 5th Symposium on Molecular Spectroscopy
  • Place of Presentation: Tokyo
  • Year and Date: 2005-05-15
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] A local interpolation scheme without using ab initio derivatives: IMLS/Shepard scheme (2005)
  • Author(s): Toshimasa Ishida
  • Organizer: The 9th East Asian Workshop on Chemical Reactions
  • Place of Presentation: 韓国大田(Daejeon)
  • Year and Date: 2005-03-27
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] A local interpolation scheme without using ab initio derivatives : IMLS/Shepard scheme (2005)
  • Author(s): Toshimasa, Ishida
  • Organizer: The 9th East Asian Workshop on Chemical Reactions Dejiong
  • Place of Presentation: Invited
  • Year and Date: 2005-03-27
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] A new proposal of the molecular design with the aggressive use of the non-adiabatic phenomena (2005)
  • Author(s): 南部伸孝
  • Organizer: The 9th East Asian Workshop on Chemical Reactions
  • Place of Presentation: 韓国 大田(Daejeon)
  • Year and Date: 2005-03-26
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] A new proposal of the molecular design with the aggressive use of the non-adiabatic phenomena (2005)
  • Author(s): Shinkoh, Nanbu
  • Organizer: The 9th East Asian Workshop on Chemical Reactions
  • Place of Presentation: Deijong Korea
  • Year and Date: 2005-03-26
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] Computing & Communications Center of Kyushu University (2005)
  • Author(s): Shinkoh, Nanbu, et. al.
  • Organizer: Super-Computing 2005, the premier international conference on high performance computing, networking and storage- in Seattle
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] シクロヘキサジエンの光開環反応の反応動力学 (2004)
  • Author(s): 田村 宏之、南部 伸孝、中村 宏樹、石田 俊正
  • Organizer: 分子構造総合討論会2004(4P101)
  • Place of Presentation: 広島
  • Year and Date: 2004-09-30
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] 三次元ポテンシャルに基づくSiH_2(A,B)状態の解離過程 (2004)
  • Author(s): 徳江郁雄, 山崎勝義, 南部伸孝
  • Organizer: 分子構造討論会2004
  • Place of Presentation: 広島
  • Year and Date: 2004-09-30
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Reaction dynamics of photo-induced ring-opening reaction of cyclehexadiene (2004)
  • Author(s): Hiroyuki, Tamura, Shinkoh, Nanbu, Hiroki, Nakamura, Toshimasa, Ishida
  • Organizer: General Meeting of Molecular Structure 2004 (4P101)
  • Place of Presentation: Hiroshimasa
  • Year and Date: 2004-09-30
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] Dissociation Process of SiH2(A,B) States Based on a three-dimensional Potential Energy Surfaces (2004)
  • Author(s): Ikuo, Tokue, Katsuyoshi, Yamasaki, Shinkoh, Nanbu
  • Organizer: General Meeting for Molecular Structures 2004 (4P100)
  • Place of Presentation: Hiroshima
  • Year and Date: 2004-09-30
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] 局所内挿法による多原子系の反応ポテンシャル面 (2004)
  • Author(s): 石田 俊正, George C. Schatz
  • Organizer: 分子構造総合討論会2004(2P093)
  • Place of Presentation: 広島
  • Year and Date: 2004-09-28
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] ハロゲン化ニッケルNiXの電子状態に関する理論的研究 (2004)
  • Author(s): 山崎恵美・石田俊正・岡林利明・谷本光敏
  • Organizer: 分子構造総合討論会2004(2P074)
  • Place of Presentation: 広島
  • Year and Date: 2004-09-28
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] ナフタレン陽イオンを介する水素分子生成反応の理論的探索 (2004)
  • Author(s): 平間 睦、相原惇一、石田俊正
  • Organizer: 分子構造総合討論会2004(2P092)
  • Place of Presentation: 広島
  • Year and Date: 2004-09-28
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Reaction potential energy surfaces of polyatomic system in terms of local interpolation (2004)
  • Author(s): Toshimasa, Ishida, George, C., Schatz
  • Organizer: General Meeting of Molecular Structure 2004(2P093)
  • Place of Presentation: Hiroshimasa
  • Year and Date: 2004-09-28
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] Theoretical study on electronic structures of Nickel halide NiX (2004)
  • Author(s): Emi, Yamazaki, Toshimasa, Ishida, Toshiaki, Okabayashi, Mitsutoshi, Tanimoto
  • Organizer: General Meeting of Molecular Structure 2004 (2P074)
  • Place of Presentation: Hiroshimasa
  • Year and Date: 2004-09-28
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] Theoretical exploration of formation reaction of molecular hydrogens mediated by a naphthalene cation (2004)
  • Author(s): Mutsumi, Hirama, Jun-ichi, Aihara, Toshimasa, Ishida
  • Organizer: General Meeting of Molecular Structure 2004 (2P092)
  • Place of Presentation: Hiroshimasa
  • Year and Date: 2004-09-28
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] 非断熱現象を利用した分子設計 (2004)
  • Author(s): 南部 伸孝, 石田 俊正, 中村 宏樹
  • Organizer: 分子構造総合討論会2004(1C07)
  • Place of Presentation: 広島
  • Year and Date: 2004-09-27
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Ne-HCNの分子間ポテンシャル (2004)
  • Author(s): 原田賢介, 田中圭一, 南部伸孝, 青柳 睦
  • Organizer: 分子構造討論会2004
  • Place of Presentation: 広島
  • Year and Date: 2004-09-27
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Molecular design employing non-adiabatic phenomena (2004)
  • Author(s): Shinkoh, Nanbu, Toshimasa, Ishida, Hiroki, Nakamura
  • Organizer: General Meeting of Molecular Structure 2004(1C07)
  • Place of Presentation: Hiroshimasa
  • Year and Date: 2004-09-27
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] Intermolecular Potential of Ne-HCN (2004)
  • Author(s): Kensuke, Harada, Keiichi, Tanaka, Shinkoh, Nanbu, Mutsumi, Aoyagi
  • Organizer: General Meeting for Molecular Structures 2004 (I P084)
  • Place of Presentation: Hiroshima
  • Year and Date: 2004-09-27
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] 非断熱現象を利用した分子設計 (2004)
  • Author(s): 南部伸孝
  • Organizer: 分子研研究会「分子機能の物理化学-理論・計算化学と分光学による新展開-」
  • Place of Presentation: 岡崎
  • Year and Date: 2004-07-21
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Molecular Design using Non-adiabatic phenomena (2004)
  • Author(s): Shinkoh, Nanbu
  • Organizer: IMS Workshop, "Physical Chemistry of Molecular Functions -Novel Developments by Theoretical and Computational Chemistry and Spectroscopy"
  • Place of Presentation: Okazaki
  • Year and Date: 2004-07-21
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] IR Absorption Spectra and Molecular Vibration Analysis of Electrochromic WO_3 Films (2004)
  • Author(s): M. Mizutani, K. Kimura, T. Ishida, K. Urabeand M. Kitao
  • Organizer: 12th International Congress on Solid Films and Surfaces
  • Place of Presentation: 浜松
  • Year and Date: 2004-06-25
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] IR Absorption Spectra and Molecular Vibration Analysis of Electrochromic WO_3 Films (2004)
  • Author(s): M., Mizutani, K., Kimura, T., Ishida, K., Urabe, M., Kitao
  • Organizer: 12th International Congress on Solid Films and Surfaces
  • Place of Presentation: Hamamatsu Japan
  • Year and Date: 2004-06-25
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] 一酸化二窒素同位体の光解離断面積に関する理論的研究 (2004)
  • Author(s): 南部伸孝, Matthew S. Johnson
  • Organizer: 第20回化学反応討論会2004
  • Place of Presentation: 東京
  • Year and Date: 2004-06-23
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] 水および水素吸着したシリコン表面の酸素挿入反応についての理論的研究 (2004)
  • Author(s): 渡邉秀和, 南部伸孝, 王 志宏, 真木 淳, 宇理須恒雄, 青柳 睦,
  • Organizer: 第20回化学反応討論会
  • Place of Presentation: 東京
  • Year and Date: 2004-06-23
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] 3次元 PESに基づくSiH_2/SiD_2の振動エネルギーとA^1B_1-B^1A_1遷移確率 (2004)
  • Author(s): 徳江郁雄, 山崎勝義, 南部伸孝
  • Organizer: 第20回化学反応討論会
  • Place of Presentation: 東京
  • Year and Date: 2004-06-23
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Theoretical Study on Photodissociation Cross Sections of Dinitrogen Monoxide (2004)
  • Author(s): Shinkoh, Nanbu, Matthew, S., Johnson
  • Organizer: The 20th Symposium for Chemical Kinetics and Dynamics (2A1)
  • Place of Presentation: Tokyo
  • Year and Date: 2004-06-23
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] Theoretical Study on Oxygen Insertion Reaction on Silicon Surface Absorbed Water and Hydrogen (2004)
  • Author(s): Hidekazu, Watanabe, Shinkoh, Nanbu, Shikoh, Oh, Jun, Magi, Tsuneo, Urisu, Mutsumi, Aoyagi
  • Organizer: The 20th Symposium for Chemical Kinetics and Dynamics (1A8)
  • Place of Presentation: Tokyo
  • Year and Date: 2004-06-23
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] SiH2/SiD2 Vibrational enrgies and the AIBI-BIAI Transition Probabilities Based on a three-dimensional PES (2004)
  • Author(s): Ikuo, Tokue, Katsuyoshi, Yamasaki, Shinkoh, Nanbu
  • Organizer: The 20th Symposium for Chemical Kinetics and Dynamics (2Q13)
  • Place of Presentation: Tokyo
  • Year and Date: 2004-06-23
  • Description: 「研究成果報告書概要(欧文)」より
• [Presentation] Application of a local interpolation scheme to a tetraatomic system-An approach using no ab initio derivatives- (2004)
  • Author(s): Toshimasa Ishida and George C. Schatz
  • Organizer: 1st Asian Pacific Conference on Theoretical and Computational Chemistry(P19)
  • Place of Presentation: 岡崎
  • Year and Date: 2004-05-12
  • Description: 「研究成果報告書概要(和文)」より
• [Presentation] Application of a local interpolation scheme to a tetraatomic system-An approach using no ab initio derivatives- (2004)
  • Author(s): Toshimasa, Ishida, George, C., Schatz
  • Organizer: 1st Asian Pacific Conference on Theoretical and Computational Chemistry (PI 9)
  • Place of Presentation: Okazaki
  • Year and Date: 2004-05-12
  • Description: 「研究成果報告書概要(欧文)」より
• [Book] 「大気の化学-分子科学によるアプローチ-」第一章(「N_2Oの光分解と同位体効果」) (2005)
  • Author(s): 南部伸孝
  • Total Pages: 19
  • Publisher: 特定領域研究「大気化学・燃焼における新規ラジカル連鎖反応」
  • Description: 「研究成果報告書概要(和文)」より
• [Remarks] 「研究成果報告書概要(和文)」より
  • URL: http://www.fukui.kyoto-u.ac.jp/~ishida