Journal of Computer Chemistry Japan -International Edition
Latest Publications

TOTAL DOCUMENTS

(FIVE YEARS 8)

H-INDEX

(FIVE YEARS 0)

Published By "Society Of Computer Chemistry, Japan"

2189-048x

Latest Documents Most Cited Documents Contributed Authors Related Sources Related Keywords

Effect of meso-Substitution on the Selectivity of the Propene Reaction by Fe(IV)OCl–Porphyrin: a Density Functional Theory Mechanistic Study

Journal of Computer Chemistry Japan -International Edition ◽

10.2477/jccjie.2020-0011 ◽

2021 ◽

Vol 7 (0) ◽

pp. n/a

Author(s):

Zhifeng MA ◽

Masahiko HADA

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Mechanistic Study ◽

Functional Theory

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

Journal of Computer Chemistry Japan -International Edition ◽

10.2477/jccjie.2020-0010 ◽

2021 ◽

Vol 7 (0) ◽

pp. n/a

Author(s):

Munetaka TAKEUCHI ◽

Masafumi YOSHIDA ◽

Umpei NAGASHIMA

Keyword(s):

Basis Sets

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Development of a Protein-Gene Motif Dictionary System for One-Stop Motif Analysis

Journal of Computer Chemistry Japan -International Edition ◽

10.2477/jccjie.2020-0008 ◽

2021 ◽

Vol 7 (0) ◽

pp. n/a

Author(s):

Masahiro OHTOMO ◽

Hiroaki KATO

Keyword(s):

Protein Gene ◽

Motif Analysis ◽

One Stop

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

Journal of Computer Chemistry Japan -International Edition ◽

10.2477/jccjie.2020-0003 ◽

2021 ◽

Vol 7 (0) ◽

pp. n/a

Author(s):

Toshiaki MATSUBARA ◽

Keisuke SHIRASAKA

Keyword(s):

Density Functional ◽

Bond Cleavage ◽

Multiple Bond ◽

Functional Study ◽

Density Functional Study

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

Journal of Computer Chemistry Japan -International Edition ◽

10.2477/jccjie.2020-0007 ◽

2021 ◽

Vol 7 (0) ◽

pp. n/a

Author(s):

Yuko IKEDA ◽

Michihiro OKUYAMA ◽

Yukihito NAKAZAWA ◽

Tomohiro OSHIYAMA ◽

Kimito FUNATSU

Keyword(s):

Elastic Modulus ◽

Predictive Models ◽

Materials Informatics ◽

Polypropylene Composites

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Development of PolyParGenv2 Software for Determination of Molecular Dynamics Simulation Parameters for Molecules with Crosslinked or Condensed Ring Structures

Journal of Computer Chemistry Japan -International Edition ◽

10.2477/jccjie.2019-0031 ◽

2020 ◽

Vol 6 (0) ◽

pp. n/a

Author(s):

Makoto YABE ◽

Kazuki MORI ◽

Jun KOYANAGI

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Ring Structures ◽

Simulation Parameters

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Paper Checking and Correction

Journal of Computer Chemistry Japan -International Edition ◽

10.2477/jccjie.foreword_6 ◽

2020 ◽

Vol 6 (0) ◽

pp. n/a

Author(s):

Brian T. NEWBOLD

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QM- and ONIOM-Molecular Dynamics Studies of the SN2 Reaction. How Does the Rare Event Take Place?

Journal of Computer Chemistry Japan -International Edition ◽

10.2477/jccjie.2019-0006 ◽

2020 ◽

Vol 6 (0) ◽

pp. n/a

Author(s):

Toshiaki MATSUBARA

Keyword(s):

Molecular Dynamics ◽

Rare Event

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Analysis Method for Digital PCR Data on Two Dimensional Orthogonal Coordinate (x, y) by Converting to Two Dimensional Polar Coordinate (r, θ) Using EXCEL Macro

Journal of Computer Chemistry Japan -International Edition ◽

10.2477/jccjie.2017-0044 ◽

2019 ◽

Vol 5 (0) ◽

pp. n/a

Author(s):

Takashi FUJII ◽

Mikio KAWAHARA ◽

Akihiro TSUYADA ◽

Manabu SUGIYAMA ◽

Masakazu AKAHORI

Keyword(s):

Digital Pcr ◽

Two Dimensional ◽

Analysis Method ◽

Polar Coordinate

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Revisiting the Nature of Si-O-Si Bridging

Journal of Computer Chemistry Japan -International Edition ◽

10.2477/jccjie.2018-0016 ◽

2019 ◽

Vol 5 (0) ◽

pp. n/a

Author(s):

Fumiya NORITAKE

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Journal of Computer Chemistry Japan -International EditionLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By "Society Of Computer Chemistry, Japan"

Effect of meso-Substitution on the Selectivity of the Propene Reaction by Fe(IV)OCl–Porphyrin: a Density Functional Theory Mechanistic Study

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

Development of a Protein-Gene Motif Dictionary System for One-Stop Motif Analysis

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

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

Development of PolyParGenv2 Software for Determination of Molecular Dynamics Simulation Parameters for Molecules with Crosslinked or Condensed Ring Structures

Paper Checking and Correction

QM- and ONIOM-Molecular Dynamics Studies of the SN2 Reaction. How Does the Rare Event Take Place?

Analysis Method for Digital PCR Data on Two Dimensional Orthogonal Coordinate (x, y) by Converting to Two Dimensional Polar Coordinate (r, θ) Using EXCEL Macro

Revisiting the Nature of Si-O-Si Bridging

Journal of Computer Chemistry Japan -International Edition
Latest Publications