Molecular Interactions
From van der Waals to Strongly Bound Complexes
Wiley Series in Theoretical Chemistry
1. Edition March 1997
XVIII, 360 Pages, Hardcover
Wiley & Sons Ltd
Short Description
Complete coverage of the many types of forces, from the weakest to the strongest, that are involved in the interaction between molecules, including the underlying theory, experimental methods and examples.
The types of forces that are involved in the interactions between molecules vary across a wide spectrum from very strong, as in ion-ion interactions, to the much weaker forces that are involved in van der Waals complexes. This book provides an introduction to the theoretical methods that are used to analyze each sort of force and provide the reader with a guide to the most appropriate method for a given problem. Examples are used to illustrate the points, and the pitfalls that a novice might encounter are outlined. These examples range from very small complexes to much larger systems with biological relevance.
THEORETICAL FRAMEWORK.
Symmetry-Adapted Perturbation Theory of Intermolecular Interactions (K. Szalewicz & B. Jeziorski).
Basis Set Superposition Error (F. van Duijneveldt).
Theory and Computation of Vibration, Rotation and Tunneling Motions of Van der Waals Complexes and Their Spectra (A. van der Avoird, et al.).
Ab Initio Predictions of the Vibrational Spectra of Some Molecular Complexes: Comparison with Experiment (T. Ford).
Conventional and Unconventional Hydrogen-Bonded Ionic Clusters (C. Deakyne).
Protein-Ligand Interactions (G. Náray-Szabó).
Indexes.