Non-Covalent Interactions in Quantum Chemistry and Physics

Theory and Applications
Herausgeber: Otero De La Roza, Alberto; Dilabio, Gino A

• Broschiertes Buch

Produktbeschreibung

Non-covalent Interactions in Quantum Chemistry and Physics: Theory and Applications provides an entry point for newcomers and a standard reference for researchers publishing in the area of non-covalent interactions. Written by the leading experts in this field, the book enables experienced researchers to keep up with the most recent developments, emerging methods, and relevant applications. The book gives a comprehensive, in-depth overview of the available quantum-chemistry methods for intermolecular interactions and details the most relevant fields of application for those techniques. Theory and applications are put side-by-side, which allows the reader to gauge the strengths and weaknesses of different computational techniques.

Produktdetails

• Verlag: Elsevier Health Sciences
• Seitenzahl: 476
• Erscheinungstermin: 13. Juni 2017
• Englisch
• Abmessung: 233mm x 189mm x 27mm
• Gewicht: 982g
• ISBN-13: 9780128098356
• ISBN-10: 012809835X
• Artikelnr.: 47057793

Inhaltsangabe

Part I: Theory 1. Physical Basis of Intermolecular Interactions 2. Energy Partition Analyses: Symmetry
Adapted Perturbation Theory and Other Techniques 3. Intermolecular Interaction Energies from Kohn
Sham Random Phase Approximation Correlation Methods 4. Wavefunction Theory Approaches to Non
covalent Interactions 5. The Exchange
Hole Dipole Moment Dispersion Model 6. A Comprehensive Overview of the DFT
D3 London
Dispersion Correction 7. Atom
centered Potentials for Non
covalent Interactions and Other Applications 8. The vdW
DF Family of Non
Local Exchange
Correlation Functionals Part II: Applications 9. Non
covalent Interactions in Organic Electronic Materials 10. Non
covalent Interactions in Molecular Crystals 11. Molecular Crystal Structure Prediction 12. Non
covalent Interactions and Environment Effects 13. Surface Adsorption 14. Non
covalent Interactions in Nanotechnology