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.



Ponnadurai Ramasami, University of Mauritius, Mauritius, Indian Ocean.

ISBN 9783110631623
Article number 9783110631623
Media type eBook - PDF
Copyright year 2020
Publisher Walter de Gruyter GmbH & Co.KG
Length 194 pages
Language English
Copy protection Digital watermarking