Journal of Computer Aided Chemistry

Journal of Computer Aided Chemistry

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

187 registered articles
(updated on June 27, 2022)

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

JOURNAL PEER REVIEWED FREE ACCESS

Solvatochromism of 4-(diethylamino)-4’-nitroazobenzene: explanation based on CNDO/S calculation results Tomoya Takada, Hiroto Tachikawa
Extended Regression Modeling of the Toxicity of Phenol Derivatives to Tetrahymena pyriformis Using the Electronic-Structure Informatics Descriptor Algafari Bakti Manggara, Manabu Sugimoto
A method to search the most stable reaction pathway and its application to the Pinner Pyrimidine Synthesis reaction Eri Maeyama, Toru Yamaguchi, Michinori Sumimoto, Kenji Hori

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Most viewed articles (May 2022)

1

The C-H Bond Dissociation Enthalpies and Estimation of the Kinetics of Hydrogen Abstraction by OH radical for Fluorinated Formates: A DFT Study

Released on J-STAGE: September 07, 2001 | Volume 2 Pages 45-51

Shingo Urata, Tadafumi Uchimaru, Asit K. Chandra, Akira Takada, Akira Sekiya
2

Design of Alkanol Amine Structure for CO₂ Absorption Method

Released on J-STAGE: August 20, 2009 | Volume 10 Pages 96-103

Naoya Yamashiro, Tomoyuki Miyao, Masamoto Arakawa, Kimito Funatsu
3

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
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

Estimation of Thermal Conductivity of Gas for Organic Compounds

Released on J-STAGE: November 09, 2006 | Volume 7 Pages 168-177

Hiroshi Yamamoto, Katsumi Tochigi

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