ISSN: 1549-9618
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Journal of Chemical Theory and Computation Q1 Unclaimed
Journal of Chemical Theory and Computation is a journal indexed in SJR in Physical and Theoretical Chemistry and Computer Science Applications with an H index of 165. It has a price of 3678 €. It has an SJR impact factor of 1,759 and it has a best quartile of Q1.
Type: Journal
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Open Access Policy: Open Choice
Type of publications:
Publication frecuency: -
3678 €
Gold OA-
Green OA0 €
Non OAMetrics
1,759
SJR Impact factor165
H Index586
Total Docs (Last Year)1722
Total Docs (3 years)44036
Total Refs9105
Total Cites (3 years)1682
Citable Docs (3 years)5,1
Cites/Doc (2 years)75,15
Ref/DocAims and Scope
Best articles
A Dynamic Equilibrium of Three Hydrogen-Bond Conformers Explains the NMR Spectrum of the Active Site of Photoactive Yellow Protein
View moreA New Method To Evaluate Excited States Lifetimes Based on Green's Function: Application to Dye-Sensitized Solar Cells
View moreA QTAIM and Electron Delocalization Computational Study of tert-Butylmethylene, Trimethylsilylmethylene, and Trimethylgermylmethylene. A New Method for Unambiguously Characterizing the Bonding between Pairs of Atoms in Reaction Intermediates
View moreAb InitioAtom-Atom Potentials Using CamCASP: Theory and Application to Many-Body Models for the Pyridine Dimer
View moreAdiabatic Approximation in Explicit Solvent Models of RedOx Chemistry
View moreAn Efficient Low Storage and Memory Treatment of Gridded Interaction Fields for Simulations of Macromolecular Association
View moreAn EOM-CCSD-PCM Benchmark for Electronic Excitation Energies of Solvated Molecules
View moreBase Flipping in a GCGC Containing DNA Dodecamer: A Comparative Study of the Performance of the Nucleic Acid Force Fields, CHARMM, AMBER, and BMS
View moreBenchmarking Electron Densities and Electrostatic Potentials of Proteins from the Three-Partition Frozen Density Embedding Method
View moreBinding Thermodynamics of Host-Guest Systems with SMIRNOFF99Frosst 1.0.5 from the Open Force Field Initiative
View moreClustered Low-Rank Tensor Format: Introduction and Application to Fast Construction of Hartree-Fock Exchange
View moreCoarse-Grained Simulations of Heme Proteins: Validation and Study of Large Conformational Transitions
View moreComparing an All-Atom and a Coarse-Grained Description of Lipid Bilayers in Terms of Enthalpies and Entropies: From MD Simulations to 2D Lattice Models
View moreComparison of Molecular and Primitive Solvent Models for Electrical Double Layers in Nanochannels
View moreComparison of Molecular Dynamics with Classical Density Functional and Poisson-Boltzmann Theories of the Electric Double Layer in Nanochannels
View moreComputational Approach for Studying Optical Properties of DNA Systems in Solution
View moreComputing pKa Values in Different Solvents by Electrostatic Transformation
View moreComputing the Absorption and Emission Spectra of 5-Methylcytidine in Different Solvents: A Test-Case for Different Solvation Models
View moreCorrelation Matrix Renormalization Theory: Improving Accuracy with Two-Electron Density-Matrix Sum Rules
View moreDeriving Coarse-Grained Charges from All-Atom Systems: An Analytic Solution
View moreDiabatic Definition of Geometric Phase Effects
View moreDiffusion Monte Carlo Perspective on the Spin-State Energetics of [Fe(NCH)6]2+
View moreDissecting the Influence of Protein Flexibility on the Location and Thermodynamic Profile of Explicit Water Molecules in Protein-Ligand Binding
View moreDistinguishing Biomolecular Pathways and Metastable States
View more
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