Full MD simulation of fullerene in solvent : dynamics and solvation free energy von Mizuta, K., Ishii, Y., Kim, K., Matubayasi, N.

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Characterization by solvation structure on hydrodynamic radius of nanofluid von Mizuta, K., Ishii, Y., Kim, K., Matubayasi, N.

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Theory of solutions in the energy representation. II. Functional for the chemical potential von Matubayasi, Nobuyuki, Nakahara, Masaru

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Theory of solutions in the energy representation. III. Treatment of the molecular flexibility von Matubayasi, Nobuyuki, Nakahara, Masaru

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Theory of solutions in the energetic representation. I. Formulation von Matubayasi, Nobuyuki, Nakahara, Masaru

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Preferential hydration of proteins: A Kirkwood-Buff approach von Shimizu, Seishi, Matubayasi, Nobuyuki

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A new high-temperature multinuclear-magnetic-resonance probe and the self-diffusion of light and heavy water in sub- and supercritical conditions von Yoshida, Ken, Wakai, Chihiro, Matubayasi, Nobuyuki, Nakahara, Masaru

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Free-energy analysis of solubilization in micelle von Matubayasi, Nobuyuki, Liang, Kuo Kan, Nakahara, Masaru

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A quantum chemical approach to the free energy calculations in condensed systems: the QM/MM method combined with the theory of energy representation von Takahashi, Hideaki, Matubayasi, Nobuyuki, Nakahara, Masaru, Nitta, Tomoshige

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A mode-coupling approach to the attractive interaction effect on the solute diffusion in liquids von Yamaguchi, T., Matubayasi, N., Nakahara, M.

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Hydrothermal reactions of formaldehyde and formic acid: free-energy analysis of equilibrium von Matubayasi, Nobuyuki, Nakahara, Masaru

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Self-diffusion of supercritical water in extremely low-density region von Yoshida, Ken, Matubayasi, Nobuyuki, Nakahara, Masaru

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Solvation shell dynamics studied by molecular dynamics simulation in relation to the translational and rotational dynamics of supercritical water and benzene von Yoshida, Ken, Matubayasi, Nobuyuki, Nakahara, Masaru

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Understanding Sorption Mechanisms Directly from Isotherms von Shimizu, Seishi, Matubayasi, N

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Pair-correlation entropy of hydrophobic hydration: decomposition into translational and orientational contributions and analysis of solute-size effects von Kinoshita, Masahiro, Matubayasi, Nobuyuki, Harano, Yuichi, Nakahara, Masaru

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NMR Spectroscopic Evidence for an Intermediate of Formic Acid in the Water−Gas−Shift Reaction von Yoshida, Ken, Wakai, Chihiro, Matubayasi, Nobuyuki, Nakahara, Masaru

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Mechanisms and Kinetics of Acetaldehyde Reaction in Supercritical Water:  Noncatalytic Disproportionation, Condensation, and Decarbonylation von Nagai, Yasuharu, Morooka, Saiko, Matubayasi, Nobuyuki, Nakahara, Masaru

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Hydrothermal Carbon−Carbon Bond Formation and Disproportionations of C1 Aldehydes:  Formaldehyde and Formic Acid von Morooka, Saiko, Wakai, Chihiro, Matubayasi, Nobuyuki, Nakahara, Masaru

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A novel quantum mechanical/molecular mechanical approach to the free energy calculation for isomerization of glycine in aqueous solution von Takahashi, Hideaki, Kawashima, Yuko, Nitta, Tomoshige, Matubayasi, Nobuyuki

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Structural study of supercritical water. III. Rotational dynamics von Matubayasi, Nobuyuki, Nakao, Naoko, Nakahara, Masaru

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