著書論文等- 森田 明弘 -
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件数:137件
[2017]
21.[] Unveiling subsurface hydrogen-bond structure of hexagonal water ice.[PHYSICAL REVIEW B,96(11),(2017)]Yuji Otsuki, Toshiki Sugimoto, Tatsuya Ishiyama, Akihiro Morita, Kazuya Watanabe
10.1103/PhysRevB.96.115405
http://gateway.isiknowledge.com/gateway/Gateway.cgi?&GWVersion=2&SrcAuth=TohokuUniv&SrcApp=TohokuUniv&DestLinkType=FullRecord&KeyUT=WOS:000409254000007&DestApp=WOS
22.[] Theoretical Investigation of C-H Vibrational Spectroscopy. 2. Unified Assignment Method of IR, Raman, and Sum Frequency Generation Spectra of Ethanol.[JOURNAL OF PHYSICAL CHEMISTRY A,121(36),(2017),6701-6712]Lin Wang, Tatsuya Ishiyama, and Akihiro Morita
10.1021/acs.jpca.7b05378
http://gateway.isiknowledge.com/gateway/Gateway.cgi?&GWVersion=2&SrcAuth=TohokuUniv&SrcApp=TohokuUniv&DestLinkType=FullRecord&KeyUT=WOS:000411171600004&DestApp=WOS
23.[] Theoretical Investigation of C-H Vibrational Spectroscopy. 1. Modeling of Methyl and Methylene Groups of Ethanol with Different Conformers.[JOURNAL OF PHYSICAL CHEMISTRY A,121(36),(2017),6687-6700]Lin Wang, Tatsuya Ishiyama, and Akihiro Morita
10.1021/acs.jpca.7b05320
http://gateway.isiknowledge.com/gateway/Gateway.cgi?&GWVersion=2&SrcAuth=TohokuUniv&SrcApp=TohokuUniv&DestLinkType=FullRecord&KeyUT=WOS:000411171600003&DestApp=WOS
24.[] A QM/MM study on the correlation between the polarisations of pi and sigma electrons in a hydrated benzene.[MOLECULAR SIMULATION,43(13-16),(2017),1209-1217]Daiki Suzuoka, Hideaki Takahashi, and Akihiro Morita
10.1080/08927022.2017.1350661
http://gateway.isiknowledge.com/gateway/Gateway.cgi?&GWVersion=2&SrcAuth=TohokuUniv&SrcApp=TohokuUniv&DestLinkType=FullRecord&KeyUT=WOS:000416672600030&DestApp=WOS
25.[] Theoretical and Experimental Examination on SFG Polarization Analysis at Acetonitrile-Water Solution Surfaces.[Phys. Chem. Chem. Phys.,19(13),(2017),8941-8961]Kengo Saito, Qiling Peng, Lin Qiao, Lin Wang, Tatsuya Joutsuka, Tatsuya Ishiyama, Shen Ye, and Akihiro Morita
10.1039/C6CP08856B
26.[] Drastic Compensation of the Electronic and Solvation Effects on the ATP Hydrolysis Revealed through a Large-Scale QM/MM Simulations Combined with a Theory of Solutions.[J. Phys. Chem. B,121(10),(2017),2279-2287]Hideaki Takahashi, Satoru Umino, Yuuji Miki, Ryosuke Ishizuka, Akihiro Morita, Makoto Suzuki, and Nobuyuki Matubayasi
10.1021/acs.jpcb.7b00637
27.[] Free Energy Calculation.[Reference Module in Chemistry, Molecular Sciences and Chemical Engineering, (2017)]Akihiro Morita
10.1016/B978-0-12-409547-2.12786-6
28.[] Experimental and Theoretical Evidence for Bilayer-by-Bilayer Surface Melting of Crystalline Ice.[Proc. Natl. Acad. Sci.,114(2),(2017),227-232]M. Alejandra Sánchez, Tanja Kling, Tatsuya Ishiyama, Marc-Jan van Zadel, Patrick J. Bisson, Markus Mezger, Mara Nikola Jochum, Jenée D. Cyran, Wilbert J. Smit, Huib J. Bakker, Mary Jane Shultz, Akihiro Morita, Davide Donadio, Yuki Nagata, Mischa Bonn, Ellen H. G. Backus
10.1073/pnas.1612893114
29.[] 水表面の不均一化学の分子シミュレーション.[大気化学研究,36, (2017), 036A05-]森田 明弘
[2016]
30.[] Efficient Computation of Difference Vibrational Spectra in Isothermal-Isobaric Ensemble.[J. Phys. Chem. B,120(43),(2016),11229-11238]Tatsuya Joutsuka
10.1021/acs.jpcb.6b07121
31.[] Improved Theory of Difference Vibrational Spectroscopy and Application to Water.[J. Chem. Theory Comput.,12(10),(2016),5026-5036]Tatsuya Joutsuka
10.1021/acs.jctc.6b00697
32.[] Condensed Phase QM/MM Simulations Utilizing the Exchange Core Functions to Describe Exchange Repulsions at the QM Boundary Region.[J. Chem. Phys.,145(8),(2016),084107-]Satoru Umino, Hideaki Takahashi
10.1063/1.4961373
33.[] Computational Analysis of Vibrational Sum Frequency Generation Spectroscopy.[ANNUAL REVIEW OF PHYSICAL CHEMISTRY,68,(2016),355-377]Ishiyama Tatsuya, Morita Akihiro
10.1146/annurev-physchem-052516-044806
http://gateway.isiknowledge.com/gateway/Gateway.cgi?&GWVersion=2&SrcAuth=TohokuUniv&SrcApp=TohokuUniv&DestLinkType=FullRecord&KeyUT=WOS:000401335600017&DestApp=WOS
34.[] Bend Vibration of Surface Water Investigated by Heterodyne-Detected Sum Frequency Generation and Theoretical Study: Dominant Role of Quadrupole.[J. Phys.Chem. Lett.,7(13),(2016),2597-2601]Achintya Kundu, Shogo Tanaka, Tatsuya Ishiyama, Mohammed Ahmed, Ken-ichi Inoue, Satoshi Nihonyanagi, Hiromi Sawai, Shoichi Yamaguchi, Akihiro Morita, and Tahei Tahara
10.1021/acs.jpclett.6b00657
35.[] Computational Study of Effect of Water Finger on Ion Transport through Water-Oil Interface.[J. Chem. Phys.,145(014),(2016),014702-]Nobuaki Kikkawa, Lingjian Wang, and Akihiro Morita
10.1063/1.4954774
36.[] Surface Structure of Organic Carbonate Liquids Investigated by Molecular Dynamics Simulation and Sum Frequency Generation Spectroscopy.[J. Phys. Chem. C,120(28),(2016),15185-15197]Lin Wang, Qiling Peng, Shen Ye, and Akihiro Morita
10.1021/acs.jpcc.6b03935
37.[] Efficient Spectral Diffusion at the Air/Water Interface Revealed by Femtosecond Time-Resolved Heterodyne-Detected Vibrational Sum Frequency Generation Spectroscopy.[J. Phys. Chem. Lett.,7(10),(2016),1811-1815]Ken-ichi Inoue, Tatsuya Ishiyama, Satoshi Nihonyanagi, Shoichi Yamaguchi, Akihiro Morita
10.1021/acs.jpclett.6b00701
38.[] Hydrogen Bonding Structure at Zwitterionic Lipid/Water Interface.[J. Phys. Chem. Lett.,7(2),(2016),216-220]Tatsuya Ishiyama, Daichi Terada and Akihiro Morita
10.1021/acs.jpclett.5b02567
[2015]
39.[] Liquid/Liquid Interface Layering of 1-butanol and [bmim]PF6 Ionic Liquid: A Nonlinear Vibrational Spectroscopy and Molecular Dynamics Simulation Study.[Phys. Chem. Chem. Phys.,17(38),(2015),24587-24597]Takashi Iwahashi,Tatsuya Ishiyama,Yasunari Sakai, Akihiro Morita, Doseok Kime and Yukio Ouchi
10.1039/C5CP03307A
40.[] Construction of Exchange Repulsion in Terms of the Wave Functions at QM/MM Boundary Region.[J. Chem. Phys.,143,(2015),084104-084114]Hideaki Takahashi, Satoru Umino and Akihiro Morita
10.1063/1.4928762
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