ENGLISH

Computational Chemistry Methods: Applications

By Ponnadurai Ramasami (editor)

Book information

Publisher
de Gruyter
Year
2020
ISBN
9783110631623, 9783110629064
DOI
10.1515/9783110631623
Language
english
Format
PDF
Filesize
4 MB (4014845 bytes)
Pages
194\197
Library
degruyter.com
Time added
2023-07-26 06:59:32

Description

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. Reviews recent developments in Computational Chemistry Focus on applications

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