Journal of Computer Chemistry, Japan

Journal of Computer Chemistry, Japan

Published by Society of Computer Chemistry, Japan

850 registered articles
(updated on March 25, 2019)

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

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2019 Volume 18 Issue 1

Element Strategy for Catalysts and Batteries: Approach from Theoretical and Computational Chemistry Masahiro EHARA, Hirofumi SATO
SEI Film Formation Simulation by Using Red Moon Method Combined with QM/MM Method Takuya FUJIE, Norio TAKENAKA, Masataka NAGAOKA
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
Electronic Structure and Stability of Binary Metal Cluster with Core-Shell Structure: Theoretical Approach Nozomi TAKAGI, Ryoichi FUKUDA, Masahiro EHARA, Shigeyoshi SAKAKI

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Most viewed articles Feb.2019

1

Cryo-electron Microscopy for Structural Analysis ofDynamic Biological Macromolecules

Released: March 23, 2018 | Volume 17 Issue 1 Pages 38-45

Chihong SONG, Kazuyoshi MURATA

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

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Kei TERANISHI, Atsushi ISHIKAWA, Hiromi NAKAI

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Solvation Energy of Proton: a Consistent Calculation Schemefor Acid Dissociation Constantsand Standard Hydrogen Electrode Potentials

Released: December 27, 2016 | Volume 15 Issue 5 Pages 184-191

Toru MATSUI, Akane KIYAN, Mitsuo SHOJI, Yasuteru SHIGETA

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

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Kenichi SOMEKAWA, Masaru MITSUSHIO, Takehiko UEDA

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Chemometrics Calculations with Microsoft Excel (5)

Released: October 25, 2012 | Volume 11 Issue 3 Pages 149-158

Norio YOSHIMURA, Masao TAKAYANAGI

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