From electronic structure to time-dependent processes : a volume in honor of Giuseppe Del Re /

Advances in Quantum Chemistry publishes articles and invited reviews by leading international researchers in quantum chemistry. Quantum chemistry deals particularly with the electronic structure of atoms, molecules, and crystalline matter and describes it in terms of electron wave patterns. It uses...

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Detalles Bibliográficos
Clasificación:Libro Electrónico
Otros Autores: Barone, Vincenzo, 1964-, Lami, Alessandro, 1949-
Formato: Electrónico eBook
Idioma:Inglés
Publicado: San Diego : Academic Press, �2000.
Colección:Advances in quantum chemistry ; v. 36.
Temas:
Del Re, Giuseppe, > 1932-
Quantum chemistry.
Chimie quantique.
SCIENCE > Chemistry > Physical & Theoretical.
Quantum chemistry
Acceso en línea:Texto completo
Texto completo
Tabla de Contenidos:
  • Chapter 1. Half a Century of Hybridization
  • Chapter 2. Core and Valence Electrons in Atom-by-Atom Descriptions of Molecules
  • Chapter 3. From Classical Density Functionals to Adiabatic Connection Methods: The State of the Art
  • Chapter 4. Exchange-Energy Density Functionals as Linear Combinations of Homogeneous Functionals of Density
  • Chapter 5. Density Functional Computations and Mass Spectrometric Measurements. Can This Coupling Enlarge the Knowledge of Gas-Phase Chemistry?
  • Chapter 6. A Recent Development of the CS INDO Model: Treatment of Solvent Effects on Structures and Optical Properties of Organic Dyes
  • Chapter 7. Regioselectivity and Diastereoselectivity in the 1,3-Dipolar Cycloadditions of Nitrones with Acrylonitrile and Maleonitrile: The Origin of ENDO/EXO Selectivity
  • Chapter 8. Solvent-Mediated Proton Transfer Reactions in Cytosine: An Abinitio Study
  • Chapter 9. Electron Correlation at the Dawn of the 21st Century
  • Chapter 10. Approximate Coupled Cluster Methods: Combined Reduced Multireference and Almost-Linear Coupled Cluster Methods with Singles and Doubles
  • Chapter 11. The Half Projected Hartree-Fock Model for Determining Singlet Excited States
  • Chapter 12. Complexation of Transition Metal Cations (Sc+, Fe+, Cu+) by One Cyanide Radical
  • Chapter 13. On the Photophysics of Molecules with Charge-Transfer Excitations between Aromatic Rings
  • Chapter 14. Proton Assisted Electron Transfer-- Chapter 15. Lanczos Calculation of the X2A1/A2B2 Nonadiabatic Franck- Condon Absorption Spectrum of NO21
  • Chapter 16. Hyperspherical Coordinates for Chemical Reaction Dynamics
  • Chapter 17. On the Einstein-Podolsky-Rosen Paradox.

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