Journal of Computer Chemistry, Japan

Journal of Computer Chemistry, Japan

Published by Society of Computer Chemistry, Japan

1,102 registered articles
(updated on April 12, 2025)

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

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2025 Volume 24 Issue 1

Theoretical Background on Free Energy Calculation UsingFluctuation Theorem and Application to Non-equilibriumMolecular Dynamics Simulation Sei TSUKAMURA, Yusuke SUGENAMI, Yuya AKATSU, Hayato TAKAHASHI, Yoshifumi NISHIMURA, Hiromi NAKAI
Dynamics of Doubly Ionized OCS Molecules and Hidden Reaction Pathways Ryuto KAMBARA, Takuro TSUTSUMI, Kenji FURUYA, Tetsuya TAKETSUGU
Report on the 2024 Fall Meeting of the Society of Computer Chemistry, Japan Naoya SAWAGUCHI
Molecular Dynamics Calculations of Mixed Organic Semiconductor Film Surfaces with Different Alkyl Chain Lengths Rikuo SUZUKI, Ryo MIYATA, Satoru INOUE, Tatsuo HASEGAWA, Hiroyuki MATSUI

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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

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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

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First Calculation of Q-e Values of Polymer Radicals

Released on J-STAGE: May 08, 2024 | Volume 23 Issue 1 Pages A9-A14

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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

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Theoretical Background on Free Energy Calculation UsingFluctuation Theorem and Application to Non-equilibriumMolecular Dynamics Simulation

Released on J-STAGE: March 14, 2025 | Volume 24 Issue 1 Pages A3-A11

Sei TSUKAMURA, Yusuke SUGENAMI, Yuya AKATSU, Hayato TAKAHASHI, Yoshifumi NISHIMURA, Hiromi NAKAI

Views: 160

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