Haruyuki Nakano

12 papers Misc 1Journal 11
YearRankTypeTitle / Venue / Authors
2025 J jnl
Influence of Water/Ethanol Mixing Ratio on Gemcitabine Binding to Cucurbit-7-uril Based on Molecular Dynamics Simulations and Three-Dimensional Reference Interaction Site Model.
J. Chem. Inf. Model.
Natthiti Chiangraeng, Norio Yoshida, Haruyuki Nakano, Apinpus Rujiwatra, Piyarat Nimmanpipug
2024 J jnl
Generalized Foldy-Wouthuysen transformation for relativistic two-component methods: Systematic analysis of two-component Hamiltonians.
J. Comput. Chem.
Nobuki Inoue, Yoshihiro Watanabe, Haruyuki Nakano
2023 J jnl
Solvent effects in four-component relativistic electronic structure theory based on the reference interaction-site model.
J. Comput. Chem.
Kodai Kanemaru, Yoshihiro Watanabe, Norio Yoshida, Haruyuki Nakano
2022 J jnl
Computational Analysis of the SARS-CoV-2 RBD-ACE2-Binding Process Based on MD and the 3D-RISM Theory.
J. Chem. Inf. Model.
Norio Yoshida, Yutaka Maruyama, Ayori Mitsutake, Akiyoshi Kuroda, Ryo Fujiki, Kodai Kanemaru, Daisuke Okamoto, Alexander E. Kobryn, Sergey Gusarov, Haruyuki Nakano
2021 J jnl
A computational method to simulate global conformational changes of proteins induced by cosolvent.
J. Comput. Chem.
Shoichi Tanimoto, Koichi Tamura, Shigehiko Hayashi, Norio Yoshida, Haruyuki Nakano
2021 J jnl
Cover Image.
J. Comput. Chem.
Shoichi Tanimoto, Koichi Tamura, Shigehiko Hayashi, Norio Yoshida, Haruyuki Nakano
2019 J jnl
Effect of Molecular Orientational Correlations on Solvation Free Energy Computed by Reference Interaction Site Model Theory.
J. Chem. Inf. Model.
Shoichi Tanimoto, Norio Yoshida, Tsuyoshi Yamaguchi, Seiichiro L. Ten-no, Haruyuki Nakano
2017 J jnl
Solvatochromism and preferential solvation of Brooker's merocyanine in water-methanol mixtures.
J. Comput. Chem.
Yuichi Tanaka, Yukio Kawashima, Norio Yoshida, Haruyuki Nakano
2015 J jnl
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.
Yuichi Tanaka, Norio Yoshida, Haruyuki Nakano
2003 J jnl
Multireference perturbation theory with optimized partitioning. II. Applications to molecular systems.
J. Comput. Chem.
Henryk A. Witek, Haruyuki Nakano, Kimihiko Hirao
2003 Misc conf
UTChem - A Program for ab initio Quantum Chemistry.
International Conference on Computational Science
Takeshi Yanai, Haruyuki Nakano, Takahito Nakajima, Takao Tsuneda, So Hirata, Yukio Kawashima, Yoshihide Nakao, Muneaki Kamiya, Hideo Sekino, Kimihiko Hirao
2002 J jnl
Quasi-degenerate perturbation theory with general multiconfiguration self-consistent field reference functions.
J. Comput. Chem.
Haruyuki Nakano, Ryuma Uchiyama, Kimihiko Hirao