著書論文等- 森田 明弘 -
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件数:130件
[2012]
61.[] Molecular Dynamics Simulations of Surface-Specific Bonding of the Hydrogen Network of Water: A Solution to the Low Sum-Frequency Spectra.[Phys. Rev. B,86(3),(2012)]Tatsuya Ishiyama, Hideaki Takahashi
10.1103/PhysRevB.86.035408
62.[] Simple and exact approach to the electronic polarization effect on the solvation free energy: Formulation for quantum-mechanical / molecular-mechanical system and its applications to aqueous solutions.[J. Chem. Phys.,136(21),(2012)]Hideaki Takahashi, Atsushi Omi
10.1063/1.4722347
63.[] Mechanisms of Sum Frequency Generation from Liquid Benzene: Symmetry Breaking at Interface and Bulk Contribution.[J. Phys. Chem. C,116(24),(2012),13169-13182]Tatsuya Kawaguchi, Kazuya Shiratori, Yuki Henmi, Tatsuya Ishiyama
10.1021/jp302684q
64.[] Molecular Dynamics Study of Phase Transfer Catalyst for Ion Transfer through Water-Chloroform Interface.[Chem. Phys. Lett.,534,(2012),19-22]Nobuaki Kikkawa,and Tatsuya Ishiyama
10.1016/j.cplett.2012.03.027
65.[] Surface Structures of NaF and Na2SO4 Aqueous Solutions: Specific Effects of Hard Ions on Surface Vibrational Spectra.[J. Phys. Chem. C,116(20),(2012),11082-11090]Takako Imamura, Yuri Mizukoshi, Tatsuya Ishiyama
10.1021/jp3019777
66.[] 巨大分子系の計算化学.[化学同人,(2012)]森田明弘
67.[] Nonlinear Vibrational Spectroscopic Studies on the Ionic Liquid([Cnmim]TFSA (n=4,8))/Water Interfaces.[Faraday Discuss.,154,(2012),289-301]Takashi Iwahashi, Yasunari Sakai, Doseok Kim, Tatsuya Ishiyama, and Yukio Ouchi
10.1039/c1fd00061f
68.[] Vibrational Spectrum at Water Surface: A Hybrid Quantum Mechanics/Molecular Mechanics Molecular Dynamics Approach.[J. Phys.: Condens. Mat.,24(12),(2012)]Tatsuya Ishiyama, Hideaki Takahashi
10.1088/0953-8984/24/12/124107
69.[] 巨大分子系の計算化学_超大型計算機時代の理論化学の新展開.[化学同人 CSJカレントレビュー,第8, (2012), 140-146]森田明弘
[2011]
70.[] Surface Structure of Sulfuric Acid Solution Relevant to Sulfate Aerosol: Molecular Dynamics Simulation Combined with Sum Frequency Generation Measurement.[Phys. Chem. Chem. Phys.,13(47),(2011),20965-20973]Tatsuya Ishiyama, Akihiro Morita, and Takayuki Miyamae
10.1039/c1cp21920k
71.[] Unified Molecular View of Air/Water Interface Based on Experimental and Theoretical χ(2) Spectra of Isotopically Diluted Water Surface.[J. Am. Chem. Soc.,133(42),(2011),16875-16880]Satoshi Nihonyanagi, Tatsuya Ishiyama, Touk-kwan Lee, Shoichi Yamaguchi, Mischa Bonn, Akihiro Morita, and Tahei Tahara
10.1021/ja2053754
72.[] Molecular Dynamics Simulation of Sum Frequency Generation Spectra of Aqueous Sulfuric Acid Solution.[J. Phys. Chem. C,115(28),(2011),13704-13716]Tatsuya Ishiyama and Akihiro Morita
10.1021/jp200269k
73.[] Molecular Theory on Dielectric Constant at Interfaces: A Molecular Dynamics Study of the Water/Vapor Interface.[J. Chem. Phys.,134(23),(2011),234705-234714]Kazuya Shiratori and Akihiro Morita
10.1063/1.3598484
74.[] Electric Quadrupole Contribution to the Nonresonant Background of Sum Frequency Generation at Air/Liquid Interfaces.[J. Chem. Phys.,134(18),(2011),184705-184711]Shoichi Yamaguchi, Kazuya Shiratori, Akihiro Morita, and Tahei Tahara,
10.1063/1.3586811
75.[] 「大学院講義物理化学(第2版)」.[東京化学同人,(2011)]小谷正博・幸田清一郎・染田清彦・阿波賀邦夫編
76.[] Energetic Origin of Proton Affinity to the Air/Water Interface.[J. Phys. Chem. B,115(16),(2011),4745-4751]Hideaki Takahashi, Kunihiro Maruyama, Yasuhito Karino, Akihiro Morita, Masayoshi Nakano, Pavel Jungwirth, and Nobuyuki Matubayasi
10.1021/jp2015676
77.[] Molecular Dynamics Simulation of Liquid Methanol. I. Molecular Modeling including C-H Vibration and Fermi Resonance.[J. Chem. Phys.,134(2),(2011),024509-]Tatsuya Ishiyama, Vladimir V. Sokolov and Akihiro Morita
10.1063/1.3514139
78.[] Molecular Dynamics Simulation of Liquid Methanol. II. Unified Assignment of Infrared, Raman, and Sum Frequency Generation Vibrational Spectra in Methyl C-H Stretching Region.[J. Chem. Phys.,134(2),(2011),024510-]Tatsuya Ishiyama, Vladimir V. Sokolov and Akihiro Morita
10.1063/1.3514146
[2010]
79.[] Half hydration' at the air/water interface revealed by HD-ESFG spectroscopy, polarization SHG, and MD simulation.[J. Chem. Phys.,132(14),(2010),144701-]Hidekazu Watanabe, Shoichi Yamaguchi, Sobhan Sen, Akihiro Morita, Tahei Tahara
10.1063/1.3372620
[2009]
80.[] Analysis of Anisotropic Local Field in Sum Frequency Generation Spectroscopy with the Charge Response Kernel Water Model.[J. Chem. Phys.,131(24),(2009),244714-]Tatsuya Ishiyama,Akihiro Morita
10.1063/1.3279126
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