Quasi-degenerate perturbation theory with general multiconfiguration self-consistent field reference functions. - Haruyuki Nakano; Ryuma Uchiyama; Kimihiko Hirao (J. Comput. Chem., 2002)

UTChem - A Program for ab initio Quantum Chemistry. - Takeshi Yanai; Haruyuki Nakano; Takahito Nakajima; Takao Tsuneda; So Hirata; Yukio Kawashima; Yoshihide Nakao; Muneaki Kamiya; Hideo Sekino; Kimihiko Hirao (International Conference on Computational Science, 2003)

Multireference perturbation theory with optimized partitioning. II. Applications to molecular systems. - Henryk A. Witek; Haruyuki Nakano; Kimihiko Hirao (J. Comput. Chem., 2003)

Three-dimensional reference interaction site model self-consistent field analysis of solvent and substituent effects on the absorption spectra of Brooker's merocyanine. - Yuichi Tanaka 002; Norio Yoshida; Haruyuki Nakano (J. Comput. Chem., 2015)

Solvatochromism and preferential solvation of Brooker's merocyanine in water-methanol mixtures. - Yuichi Tanaka 002; Yukio Kawashima; Norio Yoshida; Haruyuki Nakano (J. Comput. Chem., 2017)

Effect of Molecular Orientational Correlations on Solvation Free Energy Computed by Reference Interaction Site Model Theory. - Shoichi Tanimoto; Norio Yoshida; Tsuyoshi Yamaguchi; Seiichiro L. Ten-no; Haruyuki Nakano (J. Chem. Inf. Model., 2019)

Cover Image. - Shoichi Tanimoto; Koichi Tamura; Shigehiko Hayashi; Norio Yoshida; Haruyuki Nakano (J. Comput. Chem., 2021)

A computational method to simulate global conformational changes of proteins induced by cosolvent. - Shoichi Tanimoto; Koichi Tamura; Shigehiko Hayashi; Norio Yoshida; Haruyuki Nakano (J. Comput. Chem., 2021)

Computational Analysis of the SARS-CoV-2 RBD-ACE2-Binding Process Based on MD and the 3D-RISM Theory. - Norio Yoshida; Yutaka Maruyama; Ayori Mitsutake; Akiyoshi Kuroda; Ryo Fujiki; Kodai Kanemaru; Daisuke Okamoto; Alexander E. Kobryn; Sergey Gusarov; Haruyuki Nakano (J. Chem. Inf. Model., 2022)

Solvent effects in four-component relativistic electronic structure theory based on the reference interaction-site model. - Kodai Kanemaru; Yoshihiro Watanabe; Norio Yoshida; Haruyuki Nakano (J. Comput. Chem., 2023)

Generalized Foldy-Wouthuysen transformation for relativistic two-component methods: Systematic analysis of two-component Hamiltonians. - Nobuki Inoue; Yoshihiro Watanabe; Haruyuki Nakano (J. Comput. Chem., 2024)

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. - Natthiti Chiangraeng; Norio Yoshida; Haruyuki Nakano; Apinpus Rujiwatra; Piyarat Nimmanpipug (J. Chem. Inf. Model., 2025)