Comparing Counterpoise-Corrected, Uncorrected, and Averaged Binding Energies for Benchmarking Noncovalent Interactions
J Chem Theory Comput
.
2014 Jan 14;10(1):49-57.
doi: 10.1021/ct400149j.
Epub 2013 Dec 13.
Authors
Lori A Burns
1
,
Michael S Marshall
1
,
C David Sherrill
1
Affiliation
1
Center for Computational Molecular Science and Technology, School of Chemistry and Biochemistry, and School of Computational Science and Engineering, Georgia Institute of Technology , Atlanta, Georgia 30332-0400, United States.
PMID:
26579890
DOI:
10.1021/ct400149j
No abstract available