Theoretical Models of Chemical Bonding: Part 4: Theoretical Treatment of Large Molecules and Their Interactions

ISBN-13: 9783642634925 / Angielski / Miękka / 2012 / 460 str.

Zvonimir B. Maksic; J. G. Angyan; A. Van Der Avoird

Opis

The state-of-the-art in contemporary theoretical chemistry is presented in this 4-volume set with numerous contributions from the most highly regarded experts in their field. It provides a concise introduction and critical evaluation of theoretical approaches in relation to experimental evidence.

Spis treści

Chemical Fragmentation Approach to the Quantum Chemical Description of Extended Systems.- Semiclassical Methods for Large Molecules of Biological Importance.- Electronic Excited States of Biomolecular Systems: Ab Initio FSGO-based Quantum Mechanical Methods with Applications to Photosynthetic and Related Systems.- Classical Electrostatics in Molecular Interactions.- Weak Interactions Between Molecules and Their Physical Interpretation.- Ab Initio Studies of Hydrogen Bonding.- The Extramolecular Electrostatic Potential An Indicator of the Chemical Reactivity.- Curve Crossing Diagrams as General Models for Chemical Reactivity and Structure.- Orbital Interactions and Chemical Reactivity of Metal Particles and Metal Surfaces.- Intermolecular Forces and the Properties of Molecular Solids.- Theoretical Evaluation of Solvent Effects.