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...

Full description

Saved in:
Bibliographic Details
Published inChemical physics letters Vol. 502; no. 1; pp. 1 - 13
Main Authors Zhao, Yan, Truhlar, Donald G.
Format Journal Article
LanguageEnglish
Published Elsevier B.V 01.01.2011
Online AccessGet full text

Cover

More Information
Summary:[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.
ISSN:0009-2614
1873-4448
DOI:10.1016/j.cplett.2010.11.060