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Computational Chemistry Methods by Ponnadurai Ramasami

Computational Chemistry Methods

Applications

Ponnadurai Ramasami

De Gruyter · Print & ebook · August 10, 2020

This book reviews a variety of methods in computational chemistry and their applications in different fields of current research.

Physical ChemistryMolecular ModelingSpectroscopy
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Who it’s for
Computational methods are applied to chemical structures, spectroscopic data, and reaction mechanisms.
Genres
Molecular Modeling, Spectroscopy, Physical Chemistry
Published
De Gruyter, August 10, 2020

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About this book

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.

Chemical Structures and Spectra

Computational methods are applied to chemical structures, spectroscopic data, and reaction mechanisms.

Come here for

  • Ab initio methods and regression analyses
  • Applications to dyes and drug compounds

Expect

  • Modeling of spectroscopic data
  • Study of reaction mechanisms

Where it sits

Molecular Modeling100%
Physical Chemistry58%
Spectroscopy42%

Percentages are BookFrontier’s reading of the book.

Publisher categories

  • Physical Chemistry
  • Molecular Modeling
  • Spectroscopy
  • Materials Science
Show all 5 publisher categories
  • Nanotech & MEMS
Authors
Ponnadurai Ramasami
Publisher
De Gruyter
Published
August 10, 2020
Format
Print & ebook
Reading lane
Physical Chemistry