Journal of Computer Aided Chemistry

Journal of Computer Aided Chemistry

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

194 registered articles
(updated on July 17, 2025)

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 (June 2025)

1

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
2

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
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

[Dedicated to Prof. T. Okada and Prof. T. Nishioka: data science in chemistry]Chemical Annotation of ESI-MS/MS Spectral Data

Released on J-STAGE: August 01, 2017 | Volume 18 Pages 15-23

Takaaki Nishioka, Hisayuki Horai
5

Development of Hydrolysis Prediction System Using Reaction Analysis with Quantum Chemical Calculation

Released on J-STAGE: September 20, 2007 | Volume 8 Pages 103-113

Motoki Nakajima, Yuki Sakuratani, Yoshiyuki Noguchi, Jun Yamada, Kenji Hori

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