Default: Journal of Computational Chemistry

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 202. It has a price of 3583 €. It has an SJR impact factor of 0,795 and it has a best quartile of Q1. It is published in English. It has an SJR impact factor of 0,795.

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

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Publication frecuency: -


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Journal of Computational Chemistry


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Aims and Scope

molecular, free, drug, atom, polarizable, solvent, gradients, integration, entropic, force, binding, docking, energy, structure, boys, decarboxylasea, branching, biosynthesis, biomolecular, bennetts, based, balanced, automating, anew, analytical, aminophenylacrylate,

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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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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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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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