Applications and validations of the Minnesota density functionals
[Display omitted] ► Reviewing recent applications and validations of the Minnesota density functionals (especially the M06 family). ► Emphasizing successes in nanochemistry, organic, inorganic, and biological chemistry, and catalysis. ► Highlighting the broad accuracy of the Minnesota functionals. W...
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| Published in | Chemical physics letters Vol. 502; no. 1; pp. 1 - 13 |
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| Main Authors | , |
| Format | Journal Article |
| Language | English |
| Published |
Elsevier B.V
01.01.2011
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| Online Access | Get full text |
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| Abstract | [Display omitted]
► Reviewing recent applications and validations of the Minnesota density functionals (especially the M06 family). ► Emphasizing successes in nanochemistry, organic, inorganic, and biological chemistry, and catalysis. ► Highlighting the broad accuracy of the Minnesota functionals.
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. |
|---|---|
| AbstractList | [Display omitted]
► Reviewing recent applications and validations of the Minnesota density functionals (especially the M06 family). ► Emphasizing successes in nanochemistry, organic, inorganic, and biological chemistry, and catalysis. ► Highlighting the broad accuracy of the Minnesota functionals.
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. |
| Author | Zhao, Yan Truhlar, Donald G. |
| Author_xml | – sequence: 1 givenname: Yan surname: Zhao fullname: Zhao, Yan email: yan.zhao3@hp.com organization: Commercial Print Engine Lab, HP Labs, Hewlett-Packard Co., 1501 Page Mill Road, Palo Alto, CA 94304, USA – sequence: 2 givenname: Donald G. surname: Truhlar fullname: Truhlar, Donald G. email: truhlar@umn.edu organization: Department of Chemistry and Supercomputing Institute, University of Minnesota, Minneapolis, MN 55455, USA |
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► Reviewing recent applications and validations of the Minnesota density functionals (especially the M06 family). ► Emphasizing successes in... |
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