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WIREs Comput Mol Sci
Impact Factor: 14.016
Wiley Interdisciplinary Reviews:
Computational Molecular Science
Volume 2 Issue 4 (July/August 2012)
Page 513 - 715

Overviews

π‐Conjugation
Published Online: Nov 16 2011
DOI: 10.1002/wcms.95
Abstract Full article on Wiley Online Library:   HTML | PDF
Next challenges in protein–protein docking: from proteome to interactome and beyond
Published Online: Sep 28 2011
DOI: 10.1002/wcms.91
Abstract Full article on Wiley Online Library:   HTML | PDF

Advanced Reviews

Excited state coupled cluster methods
Published Online: Nov 21 2011
DOI: 10.1002/wcms.99
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Recent trends in conformational analysis
Published Online: Nov 21 2011
DOI: 10.1002/wcms.96
Abstract Full article on Wiley Online Library:   HTML | PDF
Multiconfiguration second‐order perturbation theory approach to strong electron correlation in chemistry and photochemistry
Published Online: Nov 21 2011
DOI: 10.1002/wcms.97
Abstract Full article on Wiley Online Library:   HTML | PDF
Accurate variational calculations for line lists to model the vibration–rotation spectra of hot astrophysical atmospheres
Published Online: Oct 31 2011
DOI: 10.1002/wcms.94
Abstract Full article on Wiley Online Library:   HTML | PDF
Carbohydrate force fields
Published Online: Oct 31 2011
DOI: 10.1002/wcms.89
Abstract Full article on Wiley Online Library:   HTML | PDF
Car–Parrinello molecular dynamics
Published Online: Sep 15 2011
DOI: 10.1002/wcms.90
Abstract Full article on Wiley Online Library:   HTML | PDF
Polyarene anions: interplay between theory and experiment
Published Online: Sep 15 2011
DOI: 10.1002/wcms.88
Abstract Full article on Wiley Online Library:   HTML | PDF

Software Focus

deMon2k
Published Online: Nov 21 2011
DOI: 10.1002/wcms.98
Abstract Full article on Wiley Online Library:   HTML | PDF
Psi4: an open‐source ab initio electronic structure program
Published Online: Oct 31 2011
DOI: 10.1002/wcms.93
Abstract Full article on Wiley Online Library:   HTML | PDF

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