Default: Journal of Computational Chemistry

ISSN: 0192-8651

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Journal of Computational Chemistry Q1 Unclaimed

John Wiley and Sons Inc. United States
Unfortunately this journal has not been claimed yet. For this reason, some information may be unavailable.

Journal of Computational Chemistry is a journal indexed in SJR in Chemistry (miscellaneous) and Computational Mathematics with an H index of 188. It has a price of 3583 €. It has an SJR impact factor of 0,907 and it has a best quartile of Q1. It is published in English. It has an SJR impact factor of 0,907.

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

Type: Journal

Type of Copyright:

Languages: English

Open Access Policy: Open Choice

Type of publications:

Publication frecuency: -

Price

3583 €

Inmediate OA

NPD

Embargoed OA

0 €

Non OA

Metrics

Journal of Computational Chemistry

0,907

SJR Impact factor

188

H Index

235

Total Docs (Last Year)

779

Total Docs (3 years)

14925

Total Refs

2655

Total Cites (3 years)

753

Citable Docs (3 years)

3,34

Cites/Doc (2 years)

63,51

Ref/Doc

Aims and Scope


molecular, free, energy, atom, drug, solvent, gradients, polarizable, integration, force, docking, binding, structure, entropic, comparison, components, calculationmolsimplify, branching, atomsatomic, automating, balanced, based, bennetts, biomolecular, biosynthesis, boys,



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

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

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

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

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

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

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Simple algorithm for isothermal-isobaric molecular dynamics

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

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

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

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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

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

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A theoreticalab initiostudy on the H2NO + O3reaction

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Calculation of affinities of peptides for proteins

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

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

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

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

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Symmetry operation measures

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First-principles pair potentials across the metal-ceramic interface

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

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

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