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2020 – today
- 2024
[j10]Nobuki Inoue
, Yoshihiro Watanabe, Haruyuki Nakano:
Generalized Foldy-Wouthuysen transformation for relativistic two-component methods: Systematic analysis of two-component Hamiltonians. J. Comput. Chem. 45(9): 523-535 (2024)- 2023
- [j9]Kodai Kanemaru, Yoshihiro Watanabe, Norio Yoshida, Haruyuki Nakano:
Solvent effects in four-component relativistic electronic structure theory based on the reference interaction-site model. J. Comput. Chem. 44(1): 5-14 (2023) - 2022
- [j8]Norio Yoshida, Yutaka Maruyama, Ayori Mitsutake, Akiyoshi Kuroda, Ryo Fujiki, Kodai Kanemaru, Daisuke Okamoto, Alexander E. Kobryn, Sergey Gusarov, Haruyuki Nakano:
Computational Analysis of the SARS-CoV-2 RBD-ACE2-Binding Process Based on MD and the 3D-RISM Theory. J. Chem. Inf. Model. 62(11): 2889-2898 (2022) - 2021
- [j7]Shoichi Tanimoto, Koichi Tamura, Shigehiko Hayashi, Norio Yoshida, Haruyuki Nakano:
A computational method to simulate global conformational changes of proteins induced by cosolvent. J. Comput. Chem. 42(8): 552-563 (2021) - [j6]Shoichi Tanimoto, Koichi Tamura, Shigehiko Hayashi, Norio Yoshida, Haruyuki Nakano:
Cover Image. J. Comput. Chem. 42(8): C1 (2021)
2010 – 2019
- 2019
- [j5]Shoichi Tanimoto, Norio Yoshida, Tsuyoshi Yamaguchi, Seiichiro L. Ten-no, Haruyuki Nakano:
Effect of Molecular Orientational Correlations on Solvation Free Energy Computed by Reference Interaction Site Model Theory. J. Chem. Inf. Model. 59(9): 3770-3781 (2019) - 2017
- [j4]Yuichi Tanaka, Yukio Kawashima, Norio Yoshida, Haruyuki Nakano:
Solvatochromism and preferential solvation of Brooker's merocyanine in water-methanol mixtures. J. Comput. Chem. 38(28): 2411-2419 (2017) - 2015
- [j3]Yuichi Tanaka, Norio Yoshida, Haruyuki Nakano:
Three-dimensional reference interaction site model self-consistent field analysis of solvent and substituent effects on the absorption spectra of Brooker's merocyanine. J. Comput. Chem. 36(22): 1655-1663 (2015)
2000 – 2009
- 2003
- [j2]Henryk A. Witek, Haruyuki Nakano, Kimihiko Hirao:
Multireference perturbation theory with optimized partitioning. II. Applications to molecular systems. J. Comput. Chem. 24(12): 1390-1400 (2003) - [c1]Takeshi Yanai, Haruyuki Nakano, Takahito Nakajima, Takao Tsuneda, So Hirata, Yukio Kawashima, Yoshihide Nakao, Muneaki Kamiya, Hideo Sekino, Kimihiko Hirao:
UTChem - A Program for ab initio Quantum Chemistry. International Conference on Computational Science 2003: 84-95 - 2002
- [j1]Haruyuki Nakano, Ryuma Uchiyama, Kimihiko Hirao:
Quasi-degenerate perturbation theory with general multiconfiguration self-consistent field reference functions. J. Comput. Chem. 23(12): 1166-1175 (2002)
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