Journal of Computer Chemistry, Japan

Journal of Computer Chemistry, Japan

Published by Society of Computer Chemistry, Japan

1,033 registered articles
(updated on June 02, 2023)

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

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2022 Volume 21 Issue 4

Theoretical Study on the Conduction Properties of π-Stacked Single-Molecule Junctions with Stacked Aromaticity Kazuki OKAZAWA, Yuta TSUJI, Kazunari YOSHIZAWA
DFT Study on the Formation Pathways of Keggin-type Polyoxotungstates Kai ISHIGAMI, Toshiyuki OSAKAI, Takahito NAKAJIMA, Kazuo EDA
Evaluating the Impact of Scaling Considering the Extrapolation Domain on the Prediction Performance of Machine Learning Algorithms Wataru TAKAHARA, Hiroshi OSAWA, Ren OKADA
Investigation of Computational Methods for Membrane Permeability of Middle-Sized Molecules T. TAKAHASHI, K. HENGPHASATPORN, R. HARADA, Y. SHIGETA

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Most viewed articles (May 2023)

1

First-Principles Calculation Study on Solid Electrolyte Interphase (SEI) in Lithium Ion Battery

Released on J-STAGE: February 20, 2019 | Volume 18 Issue 1 Pages 18-28

Yoshitaka TATEYAMA

Views: 615
2

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

Released on J-STAGE: August 10, 2016 | Volume 15 Issue 2 Pages A15-A29

Kei TERANISHI, Atsushi ISHIKAWA, Hiromi NAKAI

Views: 383
3

The Study of the Octanol-Water Partition Coefficient by the Computational Chemistry Method

Released on J-STAGE: March 24, 2020 | Volume 18 Issue 5 Pages 241-243

Koichi KODAMA, Arwan SYAH, Kazutomo KAWAGUCHI, Toru MATSUI, Hidemi NAGAO, Yasuteru SHIGETA

Views: 374
4

Visualization of Orbitals (2)Probability Density Distribution in the Three DimensionalRepresentation of a Hydrogen 1s Orbital in a Glass Block

Released on J-STAGE: March 30, 2015 | Volume 14 Issue 1 Pages A6-A10

Sumio TOKITA

Views: 254
5

Effects of Water Molecules and Configurations of Neighboring Amino Acid Residues Surrounding DsRed Chromophore on Its Excitation Energy

Released on J-STAGE: December 18, 2015 | Volume 14 Issue 5 Pages 155-163

Masataka SAKAGUCHI, Yuji MOCHIZUKI, Chiduru WATANABE, Kaori FUKUZAWA

Views: 247

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