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Wiley Interdisciplinary Reviews:
Computational Molecular Science
Volume 3 Issue 3 (May/June 2013)
Page 211 - 326
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Computational methods for contemporary carbene chemistry
Dennis Gerbig, David Ley
Published Online: Nov 15 2012
DOI: 10.1002/wcms.1124
Abstract Full article on Wiley Online Library:   HTML | PDF
Characterization of pericyclic steps in the mechanisms of Gold(I) catalyzed rearrangement of alkynes
Adán González Pérez, Rosana Álvarez, Ángel R. de Lera
Published Online: Nov 12 2012
DOI: 10.1002/wcms.1126
Abstract Full article on Wiley Online Library:   HTML | PDF

Advanced Reviews

Direct chemical dynamics simulations: coupling of classical and quasiclassical trajectories with electronic structure theory
Manikandan Paranjothy, Rui Sun, Yu Zhuang, William L. Hase
Published Online: Nov 16 2012
DOI: 10.1002/wcms.1132
Abstract Full article on Wiley Online Library:   HTML | PDF
Shape‐based similarity searching in chemical databases
Paul W. Finn, Garrett M. Morris
Published Online: Nov 12 2012
DOI: 10.1002/wcms.1128
Abstract Full article on Wiley Online Library:   HTML | PDF
Atomic orbital basis sets
Frank Jensen
Published Online: Oct 24 2012
DOI: 10.1002/wcms.1123
Abstract Full article on Wiley Online Library:   HTML | PDF

Software Focus

Q‐Chem: an engine for innovation
Anna I. Krylov, Peter M.W. Gill
Published Online: Nov 12 2012
DOI: 10.1002/wcms.1122
Abstract Full article on Wiley Online Library:   HTML | PDF

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