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WIREs Comput Mol Sci
Impact Factor: 14.016
Wiley Interdisciplinary Reviews:
Computational Molecular Science
Volume 4 Issue 1 (January/February 2014)
Page 1 - 89

Overview

Coarse‐grained methods for polymeric materials: enthalpy‐ and entropy‐driven models
Published Online: May 10 2013
DOI: 10.1002/wcms.1149
Abstract Full article on Wiley Online Library:   HTML | PDF

Advanced Reviews

Density functional tight binding: application to organic and biological molecules
Published Online: Jun 13 2013
DOI: 10.1002/wcms.1156
Abstract Full article on Wiley Online Library:   HTML | PDF
Frontiers in free‐energy calculations of biological systems
Published Online: Jun 06 2013
DOI: 10.1002/wcms.1157
Abstract Full article on Wiley Online Library:   HTML | PDF
Spin‐forbidden reactions: computational insight into mechanisms and kinetics
Published Online: Jun 06 2013
DOI: 10.1002/wcms.1154
Abstract Full article on Wiley Online Library:   HTML | PDF
Chemoinformatics applications of cluster analysis
Published Online: May 20 2013
DOI: 10.1002/wcms.1152
Abstract Full article on Wiley Online Library:   HTML | PDF

Software Focus

Newton‐ X : a surface‐hopping program for nonadiabatic molecular dynamics
Published Online: Jun 13 2013
DOI: 10.1002/wcms.1158
Abstract Full article on Wiley Online Library:   HTML | PDF
cp2k: atomistic simulations of condensed matter systems
Published Online: Jun 13 2013
DOI: 10.1002/wcms.1159
Abstract Full article on Wiley Online Library:   HTML | PDF

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