1.

Record Nr.

UNINA9910777894303321

Autore

Scheiner Steve

Titolo

Hydrogen bonding [[electronic resource] ] : a theoretical perspective / / Steve Scheiner

Pubbl/distr/stampa

New York, : Oxford University Press, 1997

ISBN

0-19-770408-5

1-280-52748-X

9786610527489

0-19-802509-2

1-4294-1950-4

Descrizione fisica

1 online resource (396 p.)

Collana

Topics in physical chemistry

Disciplina

541.2/26

Soggetti

Hydrogen bonding

Quantum chemistry

Lingua di pubblicazione

Inglese

Formato

Materiale a stampa

Livello bibliografico

Monografia

Note generali

Description based upon print version of record.

Nota di bibliografia

Includes bibliographical references and indexes.

Nota di contenuto

Contents; Abbreviations; 1 QUANTUM CHEMICAL FRAMEWORK; 2 GEOMETRIES AND ENERGETICS; 3 VIBRATIONAL SPECTRA; 4 EXTENDED REGIONS OF POTENTIAL ENERGY SURFACE; 5 COOPERATIVE PHENOMENA; 6 WEAK INTERACTIONS, IONIC H-BONDS, AND ION PAIRS; Index of Complexes; Subject Index

Sommario/riassunto

Explains the literature in which the characteristics of hydrogen bonds have been probed by quantum chemical methods. After an explanation as to how various properties are calculated, this book describes the results that have been obtained in various systems, focusing on the energetics, equilibrium geometries, and vibrational spectras.