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Journal of Computational Chemistry
Copyright © 2013 Wiley Periodicals, Inc., A Wiley Company
Edited By: Charles L. Brooks III, Masahiro Ehara, Gernot Frenking, and Peter R. Schreiner
Impact Factor: 4.583
ISI Journal Citation Reports © Ranking: 2011: 26/154 (Chemistry Multidisciplinary)
Online ISSN: 1096-987X
Associated Title(s): International Journal of Quantum Chemistry, Wiley Interdisciplinary Reviews: Computational Molecular Science
Most Accessed
These are the 10 most-accessed articles in the Journal of Computational Chemistry for March 2013 compiled from the most recent available usage data in rank order. The Data comes from Wiley Online Library usage statistics of downloads by subscribers to the Journal of both PDF and HTML versions of the articles.
Semiempirical GGA–type density functional constructed with a long–range dispersion correction
Stefan Grimme
Journal of Computational Chemistry, 2006, 27(15), 1787–1799
DOI: 10.1002/jcc.20495
AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading
Oleg Trott and Arthur J. Olson
Journal of Computational Chemistry, 2010, 31(2), 455–461
DOI: 10.1002/jcc.21334
Scalable molecular dynamics with NAMD
James C. Phillips, Rosemary Braun, Wei Wang, James Gumbart, Emad Tajkhorshid, Elizabeth Villa, Christophe Chipot, Robert D. Skeel, Laxmikant Kalé and Klaus Schulten
Journal of Computational Chemistry, 2005, 26(16), 1781–1802
DOI: 10.1002/jcc.20289
NBO 6.0: Natural bond orbital analysis program
Eric D. Glendening, Clark R. Landis and Frank Weinhold
Journal of Computational Chemistry, 2013, Early View
DOI: 10.1002/jcc.23266
Assessment of density functional methods for reaction energetics: Iridium-catalyzed water oxidation as case study
Andranik Kazaryan and Evert Jan Baerends
Journal of Computational Chemistry, 2013, 34(10), 870–878
DOI: 10.1002/jcc.23212
Accurate description of van der Waals complexes by density functional theory including empirical corrections
Stefan Grimme
Journal of Computational Chemistry, 2004, 25(12), 1463–1473
DOI: 10.1002/jcc.20078
Which density functional is close to CCSD accuracy to describe geometry and interaction energy of small non-covalent dimers? A benchmark study using gaussian09
Karunakaran Remya and Cherumuttathu H. Suresh
Journal of Computational Chemistry, 2013, Early View
DOI: 10.1002/jcc.23263
On-the-fly reconstruction of free-energy profiles using logarithmic mean-force dynamics
Tetsuya Morishita, Satoru G. Itoh, Hisashi Okumura and Masuhiro Mikami
Journal of Computational Chemistry, 2013, Early View
DOI: 10.1002/jcc.23267
A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force-field parameter sets 53A5 and 53A6
Chris Oostenbrink, Alessandra Villa, Alan E. Mark and Wilfred F. Van Gunsteren
Journal of Computational Chemistry, 2004, 25(13), 1656–1676
DOI: 10.1002/jcc.20090
GROMACS: Fast, flexible, and free
David Van Der Spoel, Erik Lindahl, Berk Hess, Gerrit Groenhof, Alan E. Mark and Herman J. C. Berendsen
Journal of Computational Chemistry, 2005, 26(16), 1701–1718
DOI: 10.1002/jcc.20291