Journal of Computer Chemistry, Japan

Journal of Computer Chemistry, Japan

Published by Society of Computer Chemistry, Japan

855 registered articles
(updated on April 23, 2019)

Online ISSN : 1347-3824
Print ISSN : 1347-1767
ISSN-L : 1347-1767

JOURNALS PEER REVIEWED FREE ACCESS FULL-TEXT HTML ADVANCE PUBLICATION

2019 Volume 18 Issue 1

NO-CO Reaction Over Metal-supported Ultrathin Oxide Films: Evaluating Novel Catalysts by Density-functional Theory Calculations Hiroaki KOGA, Kohei TADA, Akihide HAYASHI, Yoshinori ATO, Mitsutaka OKUMURA
Li and Na Interaction with Ti₂C-MXene: A First-Principles Calculation Shunsuke KURAHASHI, Saeid ARABNEJAD, Hiroshi USHIYAMA, Koichi YAMASHITA
Element Strategy for Catalysts and Batteries: Approach from Theoretical and Computational Chemistry Masahiro EHARA, Hirofumi SATO
Electronic Origin of Catalytic Nitric Oxide Reduction upon Small Rhodium and Copper Clusters Ryoichi FUKUDA

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Computational Chemistry Studies on CO₂ Chemical Absorption Technique: Challenge on Energy and Environmental Issue

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Molecular Simulation of Potential Energies, Steric Changesand Substituent Effects in Urethane Formation Reactionsfrom Isocyanates

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