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WIREs Comput Mol Sci
Impact Factor: 16.778

Molecular Structures

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Carbocations

Advanced Review
Donald H. Aue
Published Online: Mar 10 2011
DOI:10.1002/wcms.12

Abstract Full article on Wiley Online Library:   HTML | PDF
Hydrocarbon σ‐radical cations

Advanced Review
Andrey A. Fokin, Tatyana E. Shubina
Published Online: Mar 10 2011
DOI:10.1002/wcms.24

Abstract Full article on Wiley Online Library:   HTML | PDF
Cross‐conjugation

Overview
Peter A. Limacher, Hans P. Lüthi
Published Online: Feb 25 2011
DOI:10.1002/wcms.16

Abstract Full article on Wiley Online Library:   HTML | PDF
The electrostatic potential: an overview

Overview
Jane S. Murray, Peter Politzer
Published Online: Feb 18 2011
DOI:10.1002/wcms.19

Abstract Full article on Wiley Online Library:   HTML | PDF
Pseudopotentials and modelpotentials

Overview
Michael Dolg, Xiaoyan Cao
Published Online: Feb 18 2011
DOI:10.1002/wcms.28

Abstract Full article on Wiley Online Library:   HTML | PDF
Polarization effects in molecular interactions

Overview
F. Javier Luque, François Dehez, Christophe Chipot, Modesto Orozco
Published Online: Feb 03 2011
DOI:10.1002/wcms.32

Abstract Full article on Wiley Online Library:   HTML | PDF
The Cope rearrangement—the first born of a great family

Advanced Review
Nicole Graulich
Published Online: Jan 21 2011
DOI:10.1002/wcms.17

Abstract Full article on Wiley Online Library:   HTML | PDF
Algorithm improvements for molecular dynamics simulations

Advanced Review
Per Larsson, Berk Hess, Erik Lindahl
Published Online: Jan 21 2011
DOI:10.1002/wcms.3

Abstract Full article on Wiley Online Library:   HTML | PDF
Maximum common subgraph isomorphism algorithms and their applications in molecular science: a review

Advanced Review
Hans‐Christian Ehrlich, Matthias Rarey
Published Online: Jan 21 2011
DOI:10.1002/wcms.5

Abstract Full article on Wiley Online Library:   HTML | PDF
Hyperconjugation

Advanced Review
Igor V. Alabugin, Kerry M. Gilmore, Paul W. Peterson
Published Online: Jan 21 2011
DOI:10.1002/wcms.6

Abstract Full article on Wiley Online Library:   HTML | PDF
Going with the flow: WIREs Computational Molecular Science

Editorial Commentary
Peter R. Schreiner
Published Online: Jan 21 2011
DOI:10.1002/wcms.9

Abstract Full article on Wiley Online Library:   HTML | PDF
Computational chemogenomics

Overview
Edgar Jacoby
Published Online: Jan 21 2011
DOI:10.1002/wcms.11

Abstract Full article on Wiley Online Library:   HTML | PDF
Organocatalysis: Cinchona catalysts

Overview
Tommaso Marcelli
Published Online: Jan 21 2011
DOI:10.1002/wcms.2

Abstract Full article on Wiley Online Library:   HTML | PDF
Correlation diagram approach as a tool for interpreting chemistry: an introductory overview

Overview
Hajime Hirao
Published Online: Jan 21 2011
DOI:10.1002/wcms.20

Abstract Full article on Wiley Online Library:   HTML | PDF
Discrete molecular dynamics

Overview
Elizabeth A. Proctor, Feng Ding, Nikolay V. Dokholyan
Published Online: Jan 21 2011
DOI:10.1002/wcms.4

Abstract Full article on Wiley Online Library:   HTML | PDF
A primer on qualitative valence bond theory – a theory coming of age

Overview
Sason Shaik, Philippe C. Hiberty
Published Online: Jan 21 2011
DOI:10.1002/wcms.7

Abstract Full article on Wiley Online Library:   HTML | PDF
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