Wiley Interdisciplinary Reviews: Computational Molecular Science

Cover image for Vol. 5 Issue 1

Editor-in-Chief: Peter R. Schreiner

Impact Factor: 9.041

ISI Journal Citation Reports © Ranking: 2013: 1/52 (Mathematical & Computational Biology); 13/148 (Chemistry Multidisciplinary)

Online ISSN: 1759-0884

Associated Title(s): Journal of Computational Chemistry

Most Cited


Articles on this list are the most frequently cited ones among those published in 2011 or 2012 .They have contributed the most to the journal's impact factor in 2013.


Frank Neese
The ORCA program system
WIREs Computational Molecular Science 2012, vol. 2, pp. 73-78

Stefan Grimme
Density functional theory with London dispersion corrections
WIREs Computational Molecular Science 2011, vol. 1, pp. 211-228.

Hans-Joachim Werner, Peter J. Knowles, Gerald Knizia, Frederick R. Manby and Martin Schütz
Molpro: a general-purpose quantum chemistry program package
WIREs Computational Molecular Science 2012, vol. 2, pp. 242-253

Eric D. Glendening, Clark R. Landis and Frank Weinhold
Natural bond orbital methods
WIREs Computational Molecular Science 2012, vol. 2, pp. 1-42

Jane S. Murray and Peter Politzer
The electrostatic potential: an overview
WIREs Computational Molecular Science 2011, vol. 1, pp. 153-163

Andreas Klamt
The COSMO and COSMO-RS solvation models
WIREs Computational Molecular Science 2011, vol. 1, pp. 699-709

Alessandro Barducci, Massimiliano Bonomi and Michele Parrinello
Metadynamics
WIREs Computational Molecular Science 2011, vol. 1, pp. 826-843

Justin M. Turney, Andrew C. Simmonett, Robert M. Parrish, Edward G. Hohenstein, Francesco A. Evangelista, Justin T. Fermann, Benjamin J. Mintz, Lori A. Burns, Jeremiah J. Wilke, Micah L. Abrams, Nicholas J. Russ, Matthew L. Leininger, Curtis L. Janssen, Edward T. Seidl, Wesley D. Allen, Henry F. Schaefer, Rollin A. King, Edward F. Valeev, C. David Sherrill and T. Daniel Crawford
Psi4: an open-source ab initio electronic structure program
WIREs Computational Molecular Science 2012, vol. 2, pp. 556-565

Igor V. Alabugin, Kerry M. Gilmore and Paul W. Peterson
Hyperconjugation
WIREs Computational Molecular Science 2011, vol. 1, pp. 109-141

Per E.M. Siegbahn and Fahmi Himo
The quantum chemical cluster approach for modeling enzyme reactions
WIREs Computational Molecular Science 2011, vol. 1, pp. 323-336

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