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WIREs Comput Mol Sci
Impact Factor: 14.016
Wiley Interdisciplinary Reviews:
Computational Molecular Science
Volume 4 Issue 3 (May/June 2014)
Page 169 - 284

Overview

Analytical derivatives, forces, force constants, molecular geometries, and related response properties in electronic structure theory
Published Online: Sep 23 2013
DOI: 10.1002/wcms.1171
Abstract Full article on Wiley Online Library:   HTML | PDF

Advanced Reviews

Wavefunction methods for the accurate characterization of water clusters
Published Online: Sep 04 2013
DOI: 10.1002/wcms.1168
Abstract Full article on Wiley Online Library:   HTML | PDF
The power of coarse graining in biomolecular simulations
Published Online: Aug 27 2013
DOI: 10.1002/wcms.1169
Abstract Full article on Wiley Online Library:   HTML | PDF
Prediction of pathological mutations in proteins: the challenge of integrating sequence conservation and structure stability principles
Published Online: Aug 27 2013
DOI: 10.1002/wcms.1170
Abstract Full article on Wiley Online Library:   HTML | PDF
Insights into the binding of intrinsically disordered proteins from molecular dynamics simulation
Published Online: Aug 27 2013
DOI: 10.1002/wcms.1167
Abstract Full article on Wiley Online Library:   HTML | PDF

Software Focus

The D alton quantum chemistry program system
Published Online: Sep 23 2013
DOI: 10.1002/wcms.1172
Abstract Full article on Wiley Online Library:   HTML | PDF

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