Journal of Computer Aided Chemistry

Journal of Computer Aided Chemistry

Published by Division of Chemoinformatics and Computer Sciences The Chemical Society of Japan

194 registered articles
(updated on June 03, 2026)

Online ISSN : 1345-8647
ISSN-L : 1345-8647

JOURNAL PEER REVIEWED FREE ACCESS

Formation of machine learning models of high-refractive index organic materials through high-throughput quantum chemical calculations Hajime Mori, Asami Yoshii, Munenori Yamashita

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Most viewed articles (May 2026)

1

Theoretical Study on Reaction Mechanism of Curing Reaction of Epoxy-Imidazole Resin

Released on J-STAGE: February 17, 2024 | Volume 23 Pages 35-42

Ryusuke Mitani, Hidetoshi Yamamoto, Michinori Sumimoto
2

Electron Transfer at Dye-sensitized Solar Cells. 2.

Released on J-STAGE: February 02, 2002 | Volume 3 Pages 15-36

Tetsuji Ogawa, Yoshihiro Ishikawa, Osamu Kitao, Shigenori Tanaka, Ching-ju Wen, Junichiro Otomo, Hiroshi Takahashi, Hironori Arakawa
3

Solvatochromism of 4-(diethylamino)-4’-nitroazobenzene: explanation based on CNDO/S calculation results

Released on J-STAGE: December 15, 2021 | Volume 22 Pages 8-16

Tomoya Takada, Hiroto Tachikawa
4

Theoretical Study on Fluorination Mechanism of 2-Hydroky-3-phenylalkanoate with DAST.

Released on J-STAGE: August 03, 2000 | Volume 1 Pages 47-56

Shohei Fukuda, Shinsuke Yamato, Kenzi Hori
5

Pro-R/Pro-S-Descriptors Specified by RS-Diastereotopic Relationships, Not by Stereoheterotopic Relationships

Released on J-STAGE: August 12, 2009 | Volume 10 Pages 76-95

Shinsaku Fujita

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