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WIREs Comput Mol Sci
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Honoring Walter Thiel

Walter Thiel was one of the founding Associate Editors of WIREs Computational Molecular Science and his tireless work contributed to the success of the journal. He edited over 70 articles, and this collection features just some of those important reviews on computational methods.

Walter Thiel 1949–2019: An editorial essay
Editorial Commentary
WIREs Computational Molecular Science
Published Online: Sep 26 2019
DOI: 10.1002/wcms.1447
Abstract Full article on Wiley Online Library:   HTML | PDF
Explicitly correlated electronic structure theory from R12/F12 ansätze
Overview
WIREs Computational Molecular Science
Published Online: May 26 2011
DOI: 10.1002/wcms.68
Abstract Full article on Wiley Online Library:   HTML | PDF
Car–Parrinello molecular dynamics
Advanced Review
WIREs Computational Molecular Science
Published Online: Sep 15 2011
DOI: 10.1002/wcms.90
Abstract Full article on Wiley Online Library:   HTML | PDF
Density functional theory in materials science
Overview
WIREs Computational Molecular Science
Published Online: Jan 08 2013
DOI: 10.1002/wcms.1125
Abstract Full article on Wiley Online Library:   HTML | PDF
A primer on qualitative valence bond theory – a theory coming of age
Overview
WIREs Computational Molecular Science
Published Online: Jan 21 2011
DOI: 10.1002/wcms.7
Abstract Full article on Wiley Online Library:   HTML | PDF
Reaction coordinates and transition states in enzymatic catalysis
Advanced Review
WIREs Computational Molecular Science
Published Online: Sep 04 2017
DOI: 10.1002/wcms.1329
Abstract Full article on Wiley Online Library:   HTML | PDF
Density functional theory with London dispersion corrections
Advanced Review
WIREs Computational Molecular Science
Published Online: Mar 16 2011
DOI: 10.1002/wcms.30
Abstract Full article on Wiley Online Library:   HTML | PDF
Metadynamics
Advanced Review
WIREs Computational Molecular Science
Published Online: Feb 18 2011
DOI: 10.1002/wcms.31
Abstract Full article on Wiley Online Library:   HTML | PDF
The COSMO and COSMO‐RS solvation models
Advanced Review
WIREs Computational Molecular Science
Published Online: Sep 28 2017
DOI: 10.1002/wcms.1338
Abstract Full article on Wiley Online Library:   HTML | PDF
Polarizable continuum model
Advanced Review
WIREs Computational Molecular Science
Published Online: Jan 17 2012
DOI: 10.1002/wcms.1086
Abstract Full article on Wiley Online Library:   HTML | PDF
Symmetry‐adapted perturbation theory of intermolecular forces
Overview
WIREs Computational Molecular Science
Published Online: Aug 30 2011
DOI: 10.1002/wcms.86
Abstract Full article on Wiley Online Library:   HTML | PDF

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