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
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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 180. It has a price of 3583 €. It has an SJR impact factor of 0,957 and it has a best quartile of Q1. It is published in English.

Type: Journal

Type of Copyright:

Languages: English

Open Access Policy: Open Choice

Type of publications:

Publication frecuency: -


3583 €

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Journal of Computational Chemistry


SJR Impact factor


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Best articles

A computational study of the role of hydrogen bonds in SN1 and E1 reactions

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A dual-levelab initio and hybrid density functional theory dynamics study on the unimolecular decomposition reaction C2H5O ? CH2O + CH3

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A finite B-spline basis set for accurate diatomic molecule calculations

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A generating equation for mixing rules and two new mixing rules for interatomic potential energy parameters

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A hydration study of (1=>4) and (1=>6) linked a-glucans by comparative 10 ns molecular dynamics simulations and 500-MHz NMR

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A multilayered approach to approximating solute polarization

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A multilayered representation, quantum mechanical and molecular mechanics study of the CH3F+OH-reaction in water

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

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A simple approach for improving the hybrid MMVB force field: Application to the photoisomerization ofs-cis butadiene

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A theoreticalab initiostudy on the H2NO + O3reaction

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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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Accurate prediction of protonation state as a prerequisite for reliable MM-PB(GB)SA binding free energy calculations of HIV-1 protease inhibitors

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Adaptive integration of molecular dynamics

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Adsorption of organic substances on broken clay surfaces: A quantum chemical study

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

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An efficient approach to calculation of zero-flux atomic surfaces and generation of atomic integration data

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Anab initio study of microsolvation of LiF in water: Structures and properties of LiF-Wn,n = 1-9 complexes

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

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Atomic radii: Incorporation of solvation effects

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Automated docking of highly flexible ligands by genetic algorithms: A critical assessment

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Calculation of affinities of peptides for proteins

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Calculation of the water-cyclohexane transfer free energies of neutral amino acid side-chain analogs using the OPLS all-atom force field

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Car-Parrinello simulations with a real space method

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