Journal of Computer Aided Chemistry

Journal of Computer Aided Chemistry

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

165 registered articles
(updated on January 16, 2019)

Online ISSN : 1345-8647

JOURNALS PEER REVIEWED FREE ACCESS

Developing Novel Descriptors to Predict Physical Properties of Inorganic Compounds from Compositional Formula Fusako Sakata, Masaaki Kotera, Kenichi Tanaka, Hiroshi Nakano, Masakazu Ukita, Raku Shirasawa, Shigetaka Tomiya, Kimito Funatsu
Solubility Prediction Using Neural Network and Chemical Explanation of Deep Learning Model Amane Suzuki, Yuichiro Kikura, Kenichi Tanaka, Kimito Funatsu
Study of Magic Number in Y-Aromaticity Takayuki Ohmae

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Most viewed articles Dec.2018

1

Electron Transfer at Dye-sensitized Solar Cells. 2.

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

Yuriko Abe, Chihiro Kusakabe, Izumi Nakao, Yumi Tanaka, Shinichi Yamabe
3

Structure Properties Relationship of Ionic Liquid

Released: March 24, 2006 | Volume 7 Pages 18-30

Hiroshi Yamamoto
4

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

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

Shingo Urata, Tadafumi Uchimaru, Asit K. Chandra, Akira Takada, Akira Sekiya
5

Study of Magic Number in Y-Aromaticity

Released: November 07, 2018 | Volume 19 Pages 19-25

Takayuki Ohmae

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