著書論文等- 森田 明弘 -
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件数:137件
[2013]
61.[] Computational Analysis of the Quadrupole Contribution in the Second-Harmonic Generation Spectroscopy for the Water/Vapor Interface.[J. Chem. Phys.,138(15),(2013)]Kazuya Shiratori, Shoichi Yamaguchi, Tahei Tahara
10.1063/1.4802916
[2012]
62.[] Development of a methodology to compute solvation free energies on the basis of the theory of energy representation for solutions represented with a polarizable force field.[J. Chem. Phys.,137(21),(2012)]Daiki Suzuoka, Hideaki Takahashi, Tatsuya Ishiyama
10.1063/1.4769075
63.[] SFGスペクトルのシミュレーション.[日本分光学会 分光研究,61(6), (2012), 236-242]森田明弘
64.[] Interfacial Structures and Vibrational Spectra at Liquid/Liquid Boundaries: Molecular Dynamics Study of Water/Carbon Tetrachloride and Water/1,2-Dichloroethane Interfaces.[J. Phys. Chem. C,116(40),(2012),21439-21446]Tatsuya Ishiyama, Yuji Sato
10.1021/jp3073365
65.[] Theory of Quadrupole Contributions from Interface and Bulk in Second-Order Optical Processes.[Bull. Chem. Soc. Jpn.,85(10),(2012),1061-1076]Kazuya Shiratori
10.1246/bcsj.20120167
66.[] Origin of vibrational spectroscopic response at ice surface.[J. Phys. Chem. Lett.,3(20),(2012),3001-3006]Tatsuya Ishiyama, Hideaki Takahashi
10.1021/jz3012723
67.[] Mass Accommodation Mechanism of Water through Monolayer Films at Water/Vapor Interface.[J. Chem. Phys.,137(6),(2012)]Suguru Sakaguchi
10.1063/1.4740240
68.[] 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
69.[] 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
70.[] 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
71.[] 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
72.[] 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
73.[] 巨大分子系の計算化学.[化学同人,(2012)]森田明弘
74.[] 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
75.[] 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
76.[] 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]
77.[] 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
78.[] 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
79.[] 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
80.[] 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
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