Journal of Computer Chemistry, Japan -International Edition

Journal of Computer Chemistry, Japan -International Edition

Published by Society of Computer Chemistry, Japan

28 registered articles
(updated on July 31, 2021)

Online ISSN : 2189-048X
ISSN-L : 2189-048X

JOURNALS PEER REVIEWED FREE ACCESS FULL-TEXT HTML

Materials Informatics Approach to Predictive Models for Elastic Modulus of Polypropylene Composites Reinforced by Fillers and Additives Yuko IKEDA, Michihiro OKUYAMA, Yukihito NAKAZAWA, Tomohiro OSHIYAMA, Kimito FUNATSU
Differences between Gaussian and GAMESS Basis Sets (II) ―6-31G and 6-31G*― Munetaka TAKEUCHI, Masafumi YOSHIDA, Umpei NAGASHIMA
Density Functional Study of σ Bond Cleavage in P–P Multiple Bond of Phosphinophosphinidene Toshiaki MATSUBARA, Keisuke SHIRASAKA

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Most viewed articles Jul.2021

1

Development of PolyParGen Software to Facilitate the Determination of Molecular Dynamics Simulation Parameters for Polymers

Released: March 14, 2019 | Volume 5 2018-0034

Makoto YABE, Kazuki MORI, Kazuyoshi UEDA, Minoru TAKEDA

Views: 58
2

Materials Informatics Approach to Predictive Models for Elastic Modulus of Polypropylene Composites Reinforced by Fillers and Additives

Released: June 11, 2021 | Volume 7 2020-0007

Yuko IKEDA, Michihiro OKUYAMA, Yukihito NAKAZAWA, Tomohiro OSHIYAMA, Kimito FUNATSU

Views: 50
3

Differences between Gaussian and GAMESS Basis Sets (II) ―6-31G and 6-31G*―

Released: June 25, 2021 | Volume 7 2020-0010

Munetaka TAKEUCHI, Masafumi YOSHIDA, Umpei NAGASHIMA

Views: 40
4

Determining the Three-phase Equilibrium Diagrams for Water, Oxygen, Propane and Lithium Using van der Waals Equations of State

Released: July 06, 2018 | Volume 4 2017-0042

Yosuke KATAOKA

Views: 26
5

Density Functional Study of σ Bond Cleavage in P–P Multiple Bond of Phosphinophosphinidene

Released: June 11, 2021 | Volume 7 2020-0003

Toshiaki MATSUBARA, Keisuke SHIRASAKA

Views: 20

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