| 1 |
Transferability of Sigma Enlarging Bridge Function for Lennard-Jones Diatomic Solute Using Monatomic Solvent Correlation Obtained from Molecular Dynamics Simulation
Miyata T, Yabuki N, Leung J
Chemistry Letters, 49(11), 1372, 2020 |
| 2 |
Implementation of state-averaged MCSCF method to RISM- and 3D-RISM-SCF schemes
Okamoto D, Watanabe Y, Yoshida N, Nakano H
Chemical Physics Letters, 730, 179, 2019 |
| 3 |
A new method for finding the minimum free energy pathway of ions and small molecule transportation through protein based on 3D-RISM theory and the string method
Yoshida N
Chemical Physics Letters, 699, 22, 2018 |
| 4 |
Solvation Structure of LiClO4/Ethylene Carbonate Solution near a Graphite Electrode in Lithium-ion Batteries: 3D-RISM Study
Kasahara K, Sato H
Chemistry Letters, 47(3), 311, 2018 |
| 5 |
An Integral Equation Theory for Two Dimensional Molecular Fluids
Yagi T, Sato H
Chemistry Letters, 47(7), 901, 2018 |
| 6 |
Size-dependent adsorption sites in a Prussian blue nanoparticle: A 3D-RISM study
Ruankaew N, Yoshida N, Watanabe Y, Nakano H, Phongphanphanee S
Chemical Physics Letters, 684, 117, 2017 |
| 7 |
Effect of solvent fluctuation on the electronic transitions of formaldehyde in aqueous solution
Naka K, Morita A, Kato S
Journal of Chemical Physics, 110(7), 3484, 1999 |
| 8 |
Thermodynamic analysis of the solvent effect on tautomerization of acetylacetone: An ab initio approach
Ishida T, Hirata F, Kato S
Journal of Chemical Physics, 110(8), 3938, 1999 |
| 9 |
Theoretical study for water structure at highly ordered surface : Effect of surface structure
Akiyama R, Hirata F
Journal of Chemical Physics, 108(12), 4904, 1998 |
| 10 |
Dynamics of solvated ion in polar liquids : An interaction-site-model description
Chong SH, Hirata F
Journal of Chemical Physics, 108(17), 7339, 1998 |
