Journal of Computer Chemistry, Japan

Journal of Computer Chemistry, Japan

Published by Society of Computer Chemistry, Japan

1,072 registered articles
(updated on September 13, 2024)

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

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2024 Volume 23 Issue 1

Theoretical Research on Selective C–H Activation of 8-methylquinoline with Transition Metal Catalysts Shuto HOSHINO, Chinami TAKASHIMA, Yuto HORIO, Takanori SHIBATA, Hiromi NAKAI
Search for Quantum-Chemistry Calculations to Properly Evaluate Strength in the π-Electron Conjugation in a Group of p-Phenylethynyl Compounds Ryoko SUZUKI, Kohei CHIBA, Katsuhiko OKUYAMA
The Analysis of Defect Structure of Sn-based Perovskite Solar Cell Materials Using First-principles Calculations Mai OTAKE, Suzune OMORI, Sana KOGURE, Masanori KANEKO, Koichi YAMASHITA, Azusa MURAOKA
Consideration of the Power Generation Mechanism of Organic Solar Cells from a Carrier Perspective Kazuo NARUSHIMA, Shunta FUJIKASA, Naoyuki OKADA

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Most viewed articles (August 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: 381
2

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: 196
3

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: 163
4

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: 159
5

Validation of Extrapolation in Symbolic Regression andIts Application to Perovskite Catalysts

Released on J-STAGE: February 17, 2024 | Volume 22 Issue 2 Pages 37-40

Takuya ISODA, Shiori TAKAHASHI, Masahiko NAKANO, Yuya NAKAJIMA, Junji SEINO

Views: 132

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