Home
This Title All WIREs
WIREs RSS Feed
How to cite this WIREs title:
WIREs Comput Mol Sci
Impact Factor: 8.836

Top Ten WCMS Articles

This collection contains the top downloaded articles from WIREs Computational Molecular Science in 2018.

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
Software update: the ORCA program system, version 4.0
Software Focus
WIREs Computational Molecular Science
Published Online: Jul 17 2017
DOI: 10.1002/wcms.1327
Abstract Full article on Wiley Online Library:   HTML | PDF
In silico toxicology: computational methods for the prediction of chemical toxicity
Advanced Review
WIREs Computational Molecular Science
Published Online: Jan 06 2016
DOI: 10.1002/wcms.1240
Abstract Full article on Wiley Online Library:   HTML | PDF
PySCF: the Python‐based simulations of chemistry framework
Software Focus
WIREs Computational Molecular Science
Published Online: Sep 28 2017
DOI: 10.1002/wcms.1340
Abstract Full article on Wiley Online Library:   HTML | PDF
Umbrella sampling
Advanced Review
WIREs Computational Molecular Science
Published Online: May 26 2011
DOI: 10.1002/wcms.66
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
The ORCA program system
Software Focus
WIREs Computational Molecular Science
Published Online: Jun 28 2011
DOI: 10.1002/wcms.81
Abstract Full article on Wiley Online Library:   HTML | PDF
Spin–orbit coupling and intersystem crossing in molecules
Advanced Review
WIREs Computational Molecular Science
Published Online: Jul 22 2011
DOI: 10.1002/wcms.83
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
Machine‐learning scoring functions to improve structure‐based binding affinity prediction and virtual screening
Advanced Review
WIREs Computational Molecular Science
Published Online: Aug 28 2015
DOI: 10.1002/wcms.1225
Abstract Full article on Wiley Online Library:   HTML | PDF

Access to this WIREs title is by subscription only.

Recommend to Your
Librarian Now!

The latest WIREs articles in your inbox

Sign Up for Article Alerts