Modern Charge-Density Analysis

Modern Charge-Density Analysis focuses on state-of-the-art methods and applications of electron-density analysis. It is a field traditionally associated with understanding chemical bonding and the electrostatic properties of matter. Recently, it has also been related to predictions of properties and...

Descripción completa

Detalles Bibliográficos
Clasificación:Libro Electrónico
Autor Corporativo: SpringerLink (Online service)
Otros Autores: Gatti, Carlo (Editor ), Macchi, Piero (Editor )
Formato: Electrónico eBook
Idioma:Inglés
Publicado: Dordrecht : Springer Netherlands : Imprint: Springer, 2012.
Edición:1st ed. 2012.
Temas:
Chemistry, Physical and theoretical.
Crystallography.
Materials science.
Chemistry, Organic.
Inorganic chemistry.
Physical chemistry.
Theoretical Chemistry.
Crystallography and Scattering Methods.
Materials Science.
Organic Chemistry.
Inorganic Chemistry.
Physical Chemistry.
Acceso en línea:Texto Completo
Tabla de Contenidos:
  • A guided tour through modern charge density analysis
  • Electron densities and related properties from the ab-initio simulation of crystalline solids
  • Modeling and analysing thermal motion in experimental charge density studies
  • Spin and the Complementary Worlds of Electron Position and Momentum Densities
  • Past, present and future of charge density and density matrix refinements
  • Using wavefunctions to get more information out of diffraction experiments
  • Local Models for Joint Position and Momentum Density Studies
  • Magnetization densities in material science
  • Beyond Standard Charge Density Topological Analyses
  • On the Interplay Between Real and Reciprocal Space Properties
  • Intermolecular interaction energies from experimental charge density studies
  • Chemical Information from Charge Density Studies
  • Charge density in materials and energy science
  • A generic force field based on Quantum Chemical Topology
  • Frontier Applications of Experimental Charge Density and Electrostatics  to Bio-Macromolecules
  • Charge densities and crystal engineering
  • Electron Density Topology of Crystalline Solids at High Pressure
  • Bonding changes along solid-solid phase transitions using the Electron Localization Function approach
  • Multi-temperature electron density studies
  • Transient Charge Density Maps from Femtosecond X-Ray Diffraction
  • Charge density and chemical reactions: a unified view from Conceptual DFT.

Ejemplares similares