Density Functionals Thermochemistry /

The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science.The goal of each the...

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Detalles Bibliográficos
Clasificación:Libro Electrónico
Autor Corporativo: SpringerLink (Online service)
Otros Autores: Johnson, Erin R. (Editor )
Formato: Electrónico eBook
Idioma:Inglés
Publicado: Cham : Springer International Publishing : Imprint: Springer, 2015.
Edición:1st ed. 2015.
Colección:Topics in Current Chemistry, 365
Temas:
Chemistry, Physical and theoretical.
Surfaces (Physics).
Physical chemistry.
Theoretical Chemistry.
Surface and Interface and Thin Film.
Physical Chemistry.
Acceso en línea:Texto Completo
Tabla de Contenidos:
  • Real-space correlation models
  • Functional development, RPA, dispersion
  • Range-separated functionals
  • Non-local functionals for surface chemistry
  • Combining DFT and wave function methods
  • Homodesmotic reactions, substituent effects
  • Dispersion interactions
  • Local-hybrid functionals
  • Isodesmic reactions, strain, conjugation
  • Partition density functional theory Fractional charges and spins.

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