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 December 08, 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

View all articles in current issue

Most viewed articles (November 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

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
4

Critical Assessment of Generative Models for de Novo Molecular Structure Generation

Released on J-STAGE: February 17, 2024 | Volume 23 Pages 1-7

Tomoyuki Miyao
5

Theoretical Study on the 1:1 Solvation of Triethylphosphine Oxide with the Solvent Molecule -Correlation between Empirical Solvent Parameter AN Based on 31P NMR Chemical Shift and MO Calculations -

Released on J-STAGE: May 10, 2007 | Volume 8 Pages 59-68

Yuriko Abe, Chihiro Kusakabe, Izumi Nakao, Yumi Tanaka, Shinichi Yamabe

Favorites & Alerts

Top