Journal of Computer Chemistry, Japan

Journal of Computer Chemistry, Japan

Published by Society of Computer Chemistry, Japan

1,066 registered articles
(updated on June 05, 2024)

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

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2024 Volume 23 Issue 1

Capabilities of a Crystal Model Processing Software Using Crystallographic Approaches Yoyo HINUMA
Machine Learning in Catalysis: Analysis and Prediction of CO Adsorption on Multi-elemental Nanoparticle using Metal Coordination-based Regression Model Susan Menez ASPERA, Gerardo Valadez HUERTA, Yusuke NANBA, Kaoru HISAMA, Michihisa KOYAMA
Molecular Dynamics and Density Functional Theory Calculations to Analyze Electronic Properties of Organic Semiconductors with Different Alkyl Chains Tomoharu OKADA, Tomoka SUZUKI, Satoru INOUE, Tatsuo HASEGAWA, Hiroyuki MATSUI
First Calculation of Q-e Values of Polymer Radicals Susumu KAWAUCHI

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Most viewed articles (May 2024)

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: 581
2

The Study of the Octanol-Water Partition Coefficient by the Computational Chemistry Method

Released on J-STAGE: March 24, 2020 | Volume 18 Issue 5 Pages 241-243

Koichi KODAMA, Arwan SYAH, Kazutomo KAWAGUCHI, Toru MATSUI, Hidemi NAGAO, Yasuteru SHIGETA

Views: 383
3

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: 311
4

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: 285
5

Visualization of Orbitals (2)Probability Density Distribution in the Three DimensionalRepresentation of a Hydrogen 1s Orbital in a Glass Block

Released on J-STAGE: March 30, 2015 | Volume 14 Issue 1 Pages A6-A10

Sumio TOKITA

Views: 261

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