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Ideas of Quantum Chemistry shows how quantum mechanics is applied to chemistry to give it a theoretical foundation. From the Schroedinger equation to electronic and nuclear motion to intermolecular interactions, this book covers the primary quantum underpinnings of chemical systems. The structure of...

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Detalles Bibliográficos
Clasificación:Libro Electrónico
Autor principal: Piela, Lucjan, 1943- (Autor)
Formato: Electrónico eBook
Idioma:Inglés
Publicado: Amsterdam : Elsevier, [2014]
Edición:Second edition.
Temas:
Quantum chemistry.
Chimie quantique.
SCIENCE > Chemistry > Physical & Theoretical.
Quantenchemie
Acceso en línea:Texto completo
Tabla de Contenidos:
  • Chapter 1. The magic of quantum mechanics
  • chapter 2. The Schrodinger equation
  • chapter 3. Beyond the Schrodinger equation
  • chapter 4. Exact solutions
  • our beacons
  • chapter 5. Two fundamental approximate methods
  • chapter 6. Separation of electronic and nuclear motions
  • chapter 7. Motion of nuclei
  • chapter 8. Orbital model of electronic motion in atoms and molecules
  • chapter 9. Orbital model of electronic motion in periodic systems
  • chapter 10. Correlation of the electronic motions
  • chapter 11. Chasing correlation dragon : density functional theory (DFT)
  • chapter 12. The molecule subject to the electric or magnetic field
  • chapter 13. Intermolecular interactions
  • chapter 14. Chemical reactions
  • chapter 15. Information processing
  • the mission of chemistry.

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