Computational Chemistry Methods

Computational Chemistry Methods: Applications

by Ramasami, Ponnadurai

Type Book
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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.

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Title Statements

  • Full title :Computational Chemistry Methods : Applications / Ponnadurai Ramasami.

Summary

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.

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Edition Statements

  • Publication Date:© 2020

Publication Statements

  • Publisher(s):De Gruyter
  • Place of Publication:Berlin ; Boston
  • Language:eng
  • Publication Date:© 2020

The Physical Object

  • Description:1 Online-Ressource (XIII, 181 pages)

Edition Identifiers

Subjects

Ab-initio-Rechnung Computational Chemistry Modellierung SCIENCE / Chemistry / Computational et …

Writers

Ramasami, Ponnadurai

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