Journal of Computer Chemistry, Japan

Journal of Computer Chemistry, Japan

Published by Society of Computer Chemistry, Japan

1,090 registered articles
(updated on February 19, 2025)

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

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2024 Volume 23 Issue 4

Guidelines for Selecting Structures in Simulations of Biological Macromolecules Daisuke TAKAYA
Current Status and Future of the ABINIT-MP Program Yuji MOCHIZUKI, Tatsuya NAKANO, Kota SAKAKURA, Hideo DOI, Koji OKUWAKI, Toshihiro KATO, Hiroyuki TAKIZAWA, Satoshi OHSHIMA, Tetsuya HOSHINO, Takahiro KATAGIRI
Development of Machine Learning Models withFragment Molecular Orbital Calculation Data Koichiro KATO, Hiromu MATSUMOTO, Ryosuke KITA
On the Occasion of the Special Issue: Frontiers of Quantum Chemical Calculations Based on the Fragment Molecular Orbital Method Kaori FUKUZAWA

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Most viewed articles (January 2025)

1

First-Principles Calculation Study on Solid Electrolyte Interphase (SEI) in Lithium Ion Battery

Released on J-STAGE: February 20, 2019 | Volume 18 Issue 1 Pages 18-28

Yoshitaka TATEYAMA

Views: 675
2

Computational Chemistry Studies on CO₂ Chemical Absorption Technique: Challenge on Energy and Environmental Issue

Released on J-STAGE: August 10, 2016 | Volume 15 Issue 2 Pages A15-A29

Kei TERANISHI, Atsushi ISHIKAWA, Hiromi NAKAI

Views: 323
3

On the Occasion of the Special Issue: Frontiers of Quantum Chemical Calculations Based on the Fragment Molecular Orbital Method

Released on J-STAGE: December 30, 2024 | Volume 23 Issue 4 Pages A19

Kaori FUKUZAWA

Views: 320
4

Visualization of Orbitals (13) ― How the Orbital Hybridization Accounts for the Structure of Hydrocarbons: σ-bond and π-bond.

Released on J-STAGE: August 21, 2023 | Volume 22 Issue 1 Pages A8-A15

Sumio TOKITA

Views: 301
5

Cryo-electron Microscopy for Structural Analysis ofDynamic Biological Macromolecules

Released on J-STAGE: March 23, 2018 | Volume 17 Issue 1 Pages 38-45

Chihong SONG, Kazuyoshi MURATA

Views: 294

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