Idioma:

Applications and validations of the Minnesota density functionals

Zhao, Yan ; Truhlar, Donald G.

Chemical physics letters, 2011-01, Vol.502 (1), p.1-13 [Revista revisada por pares]

Texto completo disponible

Citas Citado por

Título:
Applications and validations of the Minnesota density functionals
Autor: Zhao, Yan ; Truhlar, Donald G.
Es parte de: Chemical physics letters, 2011-01, Vol.502 (1), p.1-13
Descripción: [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.
Editor: Elsevier B.V
Idioma: Inglés

Volver a la lista de resultados

Anterior Resultado 4 Siguiente Ir a la siguiente página