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Time-dependent Pair Distribution Functions Based on Smoluchowski Equation and Application to an Electrolyte Solution.
K. Kasahara and H. Sato
J. Comput. Chem., 39, 1491 (2018)
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Solvation Structure of LiClO4/ethylene carbonate solution Near a Graphite Electrode in Lithium-ion Batteries: 3D-RISM study
K. Kasahara and H. Sato
Chem. Lett., 47, 311 (2018).
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Dynamics Theory for Molecular Liquids Based on an Interaction Site Model
K. Kasahara and H. Sato
Phys. Chem. Chem. Phys. (Perspective), 19, 27929 (2017).
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Theoretical Study of the Solvation Effect on the Reductive Reaction of Vinylene Carbonate in the Electrolyte Solution of Lithium Ion Batteries
K. Kasahara, H. Nakano and H. Sato
J. Phys. Chem. B, 121, 5293 (2017).
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A theory of diffusion controlled reactions in polyatomic molecule system
K. Kasahara and H. Sato
J. Chem. Phys., 145, 194502 (2016).
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Solvent structure of ionic liquid with carbon dioxide
K. Kikui, S. Hayaki, K. Kido, D. Yokogawa, K. Kasahara, Y. Matsumura, H. Sato, and S. Sakaki
J. Mol. Liq., 217, 12 (2016).
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A hybrid framework of first principles molecular orbital calculations and a three-dimensional integral equation theory for molecular liquids: Multi-center molecular Ornstein-Zernike self-consistent field approach
K. Kido, K. Kasahara, D. Yokogawa, and H. Sato
J. Chem. Phys., 143, 014103 (2015).
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A molecular level study of selective cation capture by a host-guest mechanism for 25,26,27,28-tetramethoxycalix[4]arene in MClO4 solution (M = Na, K)
K. Kido, K. Kasahara, H. Sato, and S. Sakaki
Mol. Simul., 41, 881 (2015).
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Development of three-dimensional site-site Smoluchowski-Vlasov equation and application to electrolyte solutions
K. Kasahara and H. Sato
J. Chem. Phys., 140, 244110 (2014).
