Intermolecular complexes play an important role in physical chemistry, molecular physics and, especially, in the biodisciplines. In the early 1980s, rapid and significant progress was made in both experimental and theoretical investigations of molecular interactions - a fact which encouraged the authors to prepare this monograph. The coverage of the subject is particularly comprehensive, ranging from theory to experiment, from interactions of small systems to very large systems, as well as interactions of large numbers of systems, and from chemical to biological applications. The book is written for students and scientists working in various areas of chemistry, biology and physics. They will appreciate the fact that quantum and other theories of molecular interactions, experimental investigations of molecular interactions, and applications in physical chemistry and biodisciplines are consistently covered within a single book. Different computational techniques are analysed and concrete recommendations of computational strategy made for the treatment of van der Waals systems of various size.
Intermolecular complexes play an important role in physical chemistry, molecular physics and, especially, in the biodisciplines. In the early 1980s, rapid and significant progress was made in both experimental and theoretical investigations of molecular interactions - a fact which encouraged the authors to prepare this monograph. The coverage of the subject is particularly comprehensive, ranging from theory to experiment, from interactions of small systems to very large systems, as well as interactions of large numbers of systems, and from chemical to biological applications. The book is written for students and scientists working in various areas of chemistry, biology and physics. They will appreciate the fact that quantum and other theories of molecular interactions, experimental investigations of molecular interactions, and applications in physical chemistry and biodisciplines are consistently covered within a single book. Different computational techniques are analysed and concrete recommendations of computational strategy made for the treatment of van der Waals systems of various size.
Reihe
Sprache
Verlagsort
Verlagsgruppe
Elsevier Science & Technology
Zielgruppe
Für höhere Schule und Studium
Für Beruf und Forschung
Illustrationen
Maße
Höhe: 230 mm
Breite: 150 mm
ISBN-13
978-0-444-98943-7 (9780444989437)
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Schweitzer Klassifikation
I. Introduction. The hierarchy of interactions between elementary particles, atoms and molecules. The origin and phenomenological description of weak interactions. Classification of van der Waals systems. Survey of published monographs and reviews. II. Methods of Calculating Weak Interactions. General consideration of the usefulness of various types of quantum chemical and other methods. Methods of calculating accurate (nonrelativistic) energies. The Hartree-Fock (SCF) method. Empirical methods. The molecular electrostatic potential (MEP) and field (MEF). Statistical thermodynamic treatment. Molecular dynamics and the Monte Carlo Method. III. Experimental Methods Yielding Information on Weak Intermolecular Interactions. Survey of methods. Elastic scattering in molecular beams. Spectroscopic methods. Bulk properties and transport phenomena. IV. Applications in Molecular Physics and Chemistry. The physical properties of individual van der Waals molecules. The reactivity of van der Waals molecules. V. Applications in the Biodisciplines. Nonbonding intramolecular and intermolecular interactions in large molecules. Important processes. Important and common characteristic of bioreactions. Interactions between selected systems. Notes on the mechanism of selected processes. References. Appendix. Index.
