Applications and validations of the Minnesota density functionals

Yan Zhao; Donald G. Truhlar

doi:10.1016/j.cplett.2010.11.060

Applications and validations of the Minnesota density functionals

Yan Zhao, Donald G. Truhlar

Chemistry (Twin Cities)

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681 Scopus citations

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.

Original language	English (US)
Pages (from-to)	1-13
Number of pages	13
Journal	Chemical Physics Letters
Volume	502
Issue number	1-3
DOIs	https://doi.org/10.1016/j.cplett.2010.11.060
State	Published - Jan 18 2011

Bibliographical note

Funding Information:
This work was supported in part by the National Science Foundation and by the Air Force Office of Scientific Research .

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10.1016/j.cplett.2010.11.060

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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.",

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Applications and validations of the Minnesota density functionals

Abstract

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