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WIREs Comput Mol Sci
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Reaction Mechanisms and Catalysis

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Addressing the stereochemistry of complex organic molecules by density functional theory‐NMR

Advanced Review
Alessandro Bagno, Giacomo Saielli
Published Online: Dec 17 2014
DOI:10.1002/wcms.1214

Abstract Full article on Wiley Online Library:   HTML | PDF
Challenges in computational organic chemistry

Opinion
Steven M. Bachrach
Published Online: Mar 05 2014
DOI:10.1002/wcms.1185

Abstract Full article on Wiley Online Library:   HTML | PDF
Characterization of pericyclic steps in the mechanisms of Gold(I) catalyzed rearrangement of alkynes

Overview
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
Understanding protein unfolding from molecular simulations

Advanced Review
Rudesh D. Toofanny, Valerie Daggett
Published Online: Jan 26 2012
DOI:10.1002/wcms.1088

Abstract Full article on Wiley Online Library:   HTML | PDF
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