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Wiley Interdisciplinary Reviews:
Computational Molecular Science
Volume 2 Issue 1 (January/February 2012)
Page 1 - 185
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Opinion

Two personal perspectives on a key issue in contemporary 3D QSAR
Robert D. Clark, Ulf Norinder
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
Rodney J. Bartlett
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
Seiichiro Ten‐no, Jozef Noga
Published Online: May 26 2011
DOI: 10.1002/wcms.68
Abstract Full article on Wiley Online Library:   HTML | PDF

Advanced Reviews

Circular dichroism: electronic
Ingolf Warnke, Filipp Furche
Published Online: Jul 05 2011
DOI: 10.1002/wcms.55
Abstract Full article on Wiley Online Library:   HTML | PDF
Energy decomposition analysis
Moritz von Hopffgarten, Gernot Frenking
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
Xiao Zhu, Pedro E. M. Lopes, Alexander D. MacKerell
Published Online: Jun 28 2011
DOI: 10.1002/wcms.74
Abstract Full article on Wiley Online Library:   HTML | PDF
Natural bond orbital methods
Eric D. Glendening, Clark R. Landis, Frank Weinhold
Published Online: Jun 20 2011
DOI: 10.1002/wcms.51
Abstract Full article on Wiley Online Library:   HTML | PDF
Relativistic Douglas–Kroll–Hess theory
Markus Reiher
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
Anthony Cook, A. Peter Johnson, James Law, Mahdi Mirzazadeh, Orr Ravitz, Aniko Simon
Published Online: May 11 2011
DOI: 10.1002/wcms.61
Abstract Full article on Wiley Online Library:   HTML | PDF

Software Focus

Recent developments in the PQS program
Jon Baker, Tomasz Janowski, Krzysztof Wolinski, Peter Pulay
Published Online: Jun 28 2011
DOI: 10.1002/wcms.80
Abstract Full article on Wiley Online Library:   HTML | PDF
The ORCA program system
Frank Neese
Published Online: Jun 28 2011
DOI: 10.1002/wcms.81
Abstract Full article on Wiley Online Library:   HTML | PDF

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