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WIREs Comput Mol Sci
Impact Factor: 14.016
Wiley Interdisciplinary Reviews:
Computational Molecular Science
Volume 2 Issue 2 (March/April 2012)
Page 187 - 374

Overview

Symmetry‐adapted perturbation theory of intermolecular forces
Published Online: Aug 30 2011
DOI: 10.1002/wcms.86
Abstract Full article on Wiley Online Library:   HTML | PDF

Advanced Reviews

Studying molecular quantum dynamics with the multiconfiguration time‐dependent Hartree method
Published Online: Sep 07 2011
DOI: 10.1002/wcms.87
Abstract Full article on Wiley Online Library:   HTML | PDF
Spin–orbit coupling and intersystem crossing in molecules
Published Online: Jul 22 2011
DOI: 10.1002/wcms.83
Abstract Full article on Wiley Online Library:   HTML | PDF
Wavefunction methods for noncovalent interactions
Published Online: Jul 15 2011
DOI: 10.1002/wcms.84
Abstract Full article on Wiley Online Library:   HTML | PDF
The ONIOM method: its foundation and applications to metalloenzymes and photobiology
Published Online: Jul 13 2011
DOI: 10.1002/wcms.85
Abstract Full article on Wiley Online Library:   HTML | PDF
Anharmonic molecular force fields
Published Online: Jul 12 2011
DOI: 10.1002/wcms.75
Abstract Full article on Wiley Online Library:   HTML | PDF
Multi‐electron integrals
Published Online: Jul 06 2011
DOI: 10.1002/wcms.78
Abstract Full article on Wiley Online Library:   HTML | PDF
Mechanisms of branch formation in metal‐catalyzed ethene polymerization
Published Online: Jul 05 2011
DOI: 10.1002/wcms.79
Abstract Full article on Wiley Online Library:   HTML | PDF
Homodesmotic reactions for thermochemistry
Published Online: Jun 29 2011
DOI: 10.1002/wcms.72
Abstract Full article on Wiley Online Library:   HTML | PDF

Software Focus

Molpro: a general‐purpose quantum chemistry program package
Published Online: Jul 21 2011
DOI: 10.1002/wcms.82
Abstract Full article on Wiley Online Library:   HTML | PDF

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