Structural Analysis using Computational Chemistry

Structural Analysis using Computational Chemistry

EnglishHardbackPrint on demand
River Publishers
EAN: 9788793379954
Print on demand
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Detailed information

Computational chemistry is a science that allows researchers to study, characterize and predict the structure and stability of chemical systems. In other words: studying energy differences between different states to explain spectroscopic properties and reaction mechanisms at the atomic level. This field is gaining in relevance and strength due to field applications from chemical engineering, electrical engineering, electronics, biomedicine, biology, materials science, to name but a few. Structural Analysis using Computational Chemistry arises from the need to present the progress of computational chemistry in various application areas. Technical topics discussed in the book include: • Quantum mechanics and structural molecular study (AM1)• Application of quantum models in molecular analysis• Molecular analysis of insulin through controlled adsorption in hydrogels based on chitosan• Analysis and molecular characterization of organic materials for application in solar cells• Determination of thermodynamic properties of ionic liquids through molecular simulation
EAN 9788793379954
ISBN 8793379951
Binding Hardback
Publisher River Publishers
Publication date September 8, 2016
Pages 182
Language English
Dimensions 234 x 156
Country Denmark
Readership Postgraduate, Research & Scholarly
Editors Rangel-Vazquez, Norma-Aurea
Series River Publishers Series in Polymer Science