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Applications and validations of the Minnesota density functionals

Authors :
Zhao, Yan
Truhlar, Donald G.
Source :
Chemical Physics Letters. Jan2011, Vol. 502 Issue 1-3, p1-13. 13p.
Publication Year :
2011

Abstract

Abstract: We discuss and review selected recent applications and validations of the Minnesota density functionals, especially the M06 family, emphasizing nanochemistry, organic, inorganic, and biological chemistry, and catalysis and highlighting the broad accuracy of these functionals as compared to previous popular functionals for thermochemistry, kinetics, and noncovalent interactions. [ABSTRACT FROM AUTHOR]

Subjects

Subjects :
*DENSITY functionals
*THERMOCHEMISTRY
*NANOCHEMISTRY
*ORGANIC chemistry
*INORGANIC chemistry
*CATALYSIS
*ANALYTICAL mechanics

Details

Language :
English
ISSN :
00092614
Volume :
502
Issue :
1-3
Database :
Academic Search Index
Journal :
Chemical Physics Letters
Publication Type :
Academic Journal
Accession number :
57300377
Full Text :
https://doi.org/10.1016/j.cplett.2010.11.060
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