Molecular Interactions: From Van Der Waals to Strongly Bound Complexes

ISBN-13: 9780471971542 / Angielski / Twarda / 1997 / 378 str.

Steve Scheiner; Steve Scheiner

Opis

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.

Spis treści

Partial table of contents:

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.