Theoretical Chemistry in Belgium A Topical Collection from Theoretical Chemistry Accounts /

Readers of this volume can take a tour around the research locations in Belgium which are active in theoretical and computational chemistry. Selected researchers from Belgium present research highlights of their work. Originally published in the journal Theoretical Chemistry Accounts, these outstand...

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Detalles Bibliográficos
Clasificación:Libro Electrónico
Autor Corporativo: SpringerLink (Online service)
Otros Autores: Champagne, Benoît (Editor ), Deleuze, Michael S. (Editor ), De Proft, Frank (Editor ), Leyssens, Tom (Editor )
Formato: Electrónico eBook
Idioma:Inglés
Publicado: Berlin, Heidelberg : Springer Berlin Heidelberg : Imprint: Springer, 2014.
Edición:1st ed. 2014.
Colección:Highlights in Theoretical Chemistry, 6
Temas:
Chemistry, Physical and theoretical.
Atomic structure  .
Molecular structure .
Physical chemistry.
Theoretical Chemistry.
Atomic and Molecular Structure and Properties.
Physical Chemistry.
Acceso en línea:Texto Completo
Tabla de Contenidos:
  • From the Contents: Density functional theory for the description of charge-transfer processes at TTF/TCNQ interfaces
  • Ewald-type formulas for Gaussian-basis studies of one-dimensionally periodic systems
  • Quantum chemical study of self-doping PPV oligomers: spin distribution of the radical forms
  • Self-consistent methods constrained to a fixed number of particles in a given fragment and its relation to the electronegativity equalization method.

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