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WIREs Comput Mol Sci
Impact Factor: 14.016
Wiley Interdisciplinary Reviews:
Computational Molecular Science
Volume 2 Issue 1 (January/February 2012)
Page 1 - 185

Opinion

Two personal perspectives on a key issue in contemporary 3D QSAR
Published Online: May 20 2011
DOI: 10.1002/wcms.69
Abstract Full article on Wiley Online Library:   HTML | PDF

Overviews

Coupled‐cluster theory and its equation‐of‐motion extensions
Published Online: Jul 25 2011
DOI: 10.1002/wcms.76
Abstract Full article on Wiley Online Library:   HTML | PDF
Explicitly correlated electronic structure theory from R12/F12 ansätze
Published Online: May 26 2011
DOI: 10.1002/wcms.68
Abstract Full article on Wiley Online Library:   HTML | PDF

Advanced Reviews

Circular dichroism: electronic
Published Online: Jul 05 2011
DOI: 10.1002/wcms.55
Abstract Full article on Wiley Online Library:   HTML | PDF
Energy decomposition analysis
Published Online: Jun 28 2011
DOI: 10.1002/wcms.71
Abstract Full article on Wiley Online Library:   HTML | PDF
Recent developments and applications of the CHARMM force fields
Published Online: Jun 28 2011
DOI: 10.1002/wcms.74
Abstract Full article on Wiley Online Library:   HTML | PDF
Natural bond orbital methods
Published Online: Jun 20 2011
DOI: 10.1002/wcms.51
Abstract Full article on Wiley Online Library:   HTML | PDF
Relativistic Douglas–Kroll–Hess theory
Published Online: Jun 14 2011
DOI: 10.1002/wcms.67
Abstract Full article on Wiley Online Library:   HTML | PDF
Computer‐aided synthesis design: 40 years on
Published Online: May 11 2011
DOI: 10.1002/wcms.61
Abstract Full article on Wiley Online Library:   HTML | PDF

Software Focus

The ORCA program system
Published Online: Jun 28 2011
DOI: 10.1002/wcms.81
Abstract Full article on Wiley Online Library:   HTML | PDF
Recent developments in the PQS program
Published Online: Jun 28 2011
DOI: 10.1002/wcms.80
Abstract Full article on Wiley Online Library:   HTML | PDF

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