ISSN: 0192-8651

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Journal of Computational Chemistry Q1 Unclaimed

John Wiley & Sons Inc. United States

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Journal of Computational Chemistry is a journal indexed in SJR in Chemistry (miscellaneous) and Computational Mathematics with an H index of 194. It has a price of 3583 €. It has an SJR impact factor of 0.778 and it has a best quartile of Q1. It is published in English. It has an SJR impact factor of 0.778.

Journal of Computational Chemistry focuses its scope in these topics and keywords: molecular, free, drug, atom, polarizable, solvent, gradients, integration, entropic, force, ...

Type: Journal

Type of Copyright:

Languages: English

Open Access Policy: Open Choice

Type of publications:

Publication frecuency: -

Categories: Chemistry (miscellaneous) (Q1) Computational Mathematics (Q2)

Price

3583 €

Inmediate OA

NPD

Embargoed OA

0 €

Non OA

Metrics

0.778

SJR Impact factor

194

H Index

198

Total Docs (Last Year)

756

Total Docs (3 years)

11889

Total Refs

2596

Total Cites (3 years)

741

Citable Docs (3 years)

3.51

Cites/Doc (2 years)

60.05

Ref/Doc

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Aims and Scope

Best articles by citations

Molecular dynamics simulations of the dinuclear zinc-beta-lactamase from Bacteroides fragilis complexed with imipenem

TDDFT investigation on nucleic acid bases: Comparison with experiments and standard approach

Class I ribonucleotide reductase revisited: The effect of removing a proton on Glu441

Hydrogen bonding and solvent effects on the lowest1(n, ?*) excitations of triazines in water

Energy exchange network of inter-residue interactions within a thermally fluctuating protein molecule: A computational study

Accurate and efficient generalized born model based on solvent accessibility: Derivation and application for LogP octanol/water prediction and flexible peptide docking

Simple algorithm for isothermal-isobaric molecular dynamics

Stabilization of methyl anions by first-row substituents. The superiority of diffuse function-augmented basis sets for anion calculations

autoCAS

Efficiency of perturbation-selection and its orbital dependence in the SAC-CI calculations for valence excitations of medium-size molecules

A practical valence bond method: A configuration interaction method approach with perturbation theoretic facility

Relative stability of the3A2,1A2, and1A1 states of phenylnitrene: A difference-dedicated configuration interaction calculation

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Comparison of localization and delocalization indices obtained with Hartree-Fock and conventional correlated methods: Effect of Coulomb correlation

Computer-assisted pseudorotation analysis of five-membered rings by means of proton spin-spin coupling constants: ProgramPSEUROT

A theoreticalab initiostudy on the H2NO + O3reaction

Calculation of affinities of peptides for proteins

Analysis of the intermolecular interactions between CH3OCH3, CF3OCH3, CF3OCF3, and CH2F2, CHF3

Semiempirical treatment of electrostatic potentials and partial charges in combined quantum mechanical and molecular mechanical approaches

Density functional investigation of reaction of borohydride cation BH2+ with propylene

An AM1 semiempirical study of host-guest complexation in hemicarcerand complexes

Symmetry operation measures

First-principles pair potentials across the metal-ceramic interface

Updated Hessian matrix and the restricted step method for locating transition structures

New developments in the symmetry-adapted algorithm of the Polarizable Continuum Model