Journal of Computer Chemistry, Japan

Journal of Computer Chemistry, Japan

Published by Society of Computer Chemistry, Japan

1,135 registered articles
(updated on April 23, 2026)

Online ISSN : 1347-3824
Print ISSN : 1347-1767
ISSN-L : 1347-1767

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2026 Volume 25 Issue 1

A Web-Based User Interface for Efficient Construction and Editing of Slab Models for First-Principles Solid-State Calculations Akifumi SEKIHARA, Hidenobu SHIROISHI
Electronic Analysis of Intermolecular Interactions in Hexose Crystals Tomoko TAKASHITA, Ryunosuke TAKATA, Mizuki AOE, Kei TAKESHITA, Tomohiko ISHII
First-Principles Study on the Structural Origin of the Complex Metallic Alloy Phase μ−Al4 Mn Using a Single-Component Model Yuki MORIYA, Jungwen YEH, Masaya UCHIDA
Analysis of the Reaction Mechanism of Neuropsin Based on Dynamic Structure Sampling: MD×QM/MM Approach Mai FUJIWARA, Mitsumasa ABE, Yota HORIOKA, Yoshifumi FUKUNISHI, Hideki TAMURA, Juha M. LINTULUOTO, Masami LINTULUOTO

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