Computational Chemistry Methods

Applications

Computational Chemistry Methods

Applications

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This book reviews a variety of methods in computational chemistry and their applications in different fields of current research. Ab initio methods and regression analyses are discussed with special focus on their application to investigate chemical structures as for example dyes or drug compounds. Further topics are the use of computational methods in the modeling of spectroscopic data or to study reaction mechanisms.

ISBN 9783110629064
Artikelnummer 9783110629064
Medientyp Buch
Copyrightjahr 2020
Verlag De Gruyter
Umfang XIII, 181 Seiten
Abbildungen 30 b/w and 70 col. ill., 30 b/w tbl.
Sprache Englisch