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WIREs Comput Mol Sci
Impact Factor: 16.778

Top Ten WCMS Articles

These were the top articles cited in the 2019 Journal Citation Report from the Web of Science Group.

Software update: the ORCA program system, version 4.0
Software Focus
WIREs WIREs Computational Molecular Science
Published Online: Jul 17 2017
DOI: 10.1002/wcms.1327
Abstract Full article on Wiley Online Library:   HTML | PDF
Quantum‐mechanical condensed matter simulations with CRYSTAL
Software Focus
WIREs WIREs Computational Molecular Science
Published Online: Mar 04 2018
DOI: 10.1002/wcms.1360
Abstract Full article on Wiley Online Library:   HTML | PDF
PySCF: the Python‐based simulations of chemistry framework
Software Focus
WIREs WIREs Computational Molecular Science
Published Online: Sep 28 2017
DOI: 10.1002/wcms.1340
Abstract Full article on Wiley Online Library:   HTML | PDF
Energy decomposition analysis
Advanced Review
WIREs WIREs Computational Molecular Science
Published Online: Nov 10 2017
DOI: 10.1002/wcms.1345
Abstract Full article on Wiley Online Library:   HTML | PDF
Nonadiabatic dynamics: The SHARC approach
Advanced Review
WIREs WIREs Computational Molecular Science
Published Online: May 09 2018
DOI: 10.1002/wcms.1370
Abstract Full article on Wiley Online Library:   HTML | PDF
First‐principles modeling of molecular crystals: structures and stabilities, temperature and pressure
Advanced Review
WIREs WIREs Computational Molecular Science
Published Online: Dec 19 2016
DOI: 10.1002/wcms.1294
Abstract Full article on Wiley Online Library:   HTML | PDF
The COSMO and COSMO‐RS solvation models
Advanced Review
WIREs WIREs Computational Molecular Science
Published Online: Sep 28 2017
DOI: 10.1002/wcms.1338
Abstract Full article on Wiley Online Library:   HTML | PDF
The rise of two‐dimensional van der Waals ferroelectrics
Overview
WIREs WIREs Computational Molecular Science
Published Online: May 03 2018
DOI: 10.1002/wcms.1365
Abstract Full article on Wiley Online Library:   HTML | PDF
Prospects of spintronics based on 2D materials
Advanced Review
WIREs WIREs Computational Molecular Science
Published Online: Apr 21 2017
DOI: 10.1002/wcms.1313
Abstract Full article on Wiley Online Library:   HTML | PDF
Explicitly correlated local coupled‐cluster methods using pair natural orbitals
Advanced Review
WIREs WIREs Computational Molecular Science
Published Online: Jul 11 2018
DOI: 10.1002/wcms.1371
Abstract Full article on Wiley Online Library:   HTML | PDF

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