7.9(top 1%)
Impact Factor
8.2(top 1%)
extended IF
92(top 4%)
H-Index
805
authors
546
papers
46.9K
citations
1.7K
citing journals
29.8K
citing authors

Most Cited Articles of Wiley Interdisciplinary Reviews: Computational Molecular Science

TitleYearCitations
The ORCA program system20126.7K
Molpro: a general-purpose quantum chemistry program package20122.3K
Software update: the ORCA program system, version 4.020182.1K
Density functional theory with London dispersion corrections20111.6K
cp2k: atomistic simulations of condensed matter systems20141.6K
An overview of the Amber biomolecular simulation package20131.2K
The Dalton quantum chemistry program system2014956
Natural bond orbital methods2012887
Quantum-mechanical condensed matter simulations with CRYSTAL2018795
Metadynamics2011746
Turbomole2014710
The electrostatic potential: an overview2011680
Psi4: an open-source ab initio electronic structure program2012678
Umbrella sampling2011645
Energy decomposition analysis2012499
PySCF: the Python-based simulations of chemistry framework2018482
Polarizable continuum model2012480
Spin–orbit coupling and intersystem crossing in molecules2012471
The COSMO and COSMO-RS solvation models2011459
Symmetry-adapted perturbation theory of intermolecular forces2012377
The power of coarse graining in biomolecular simulations2014346
The algebraic diagrammatic construction scheme for the polarization propagator for the calculation of excited states2015345
In silico toxicology: computational methods for the prediction of chemical toxicity2016310
Nonadiabatic dynamics with trajectory surface hopping method2011302
Wavefunction methods for noncovalent interactions2012293