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Structural Analysis using Computational Chemistry

Editat de Norma-Aurea Rangel-Vázquez
en Limba Engleză Hardback – 8 sep 2016
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
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Specificații

ISBN-13: 9788793379954
ISBN-10: 8793379951
Pagini: 182
Dimensiuni: 156 x 234 x 15 mm
Greutate: 0.44 kg
Ediția:1
Editura: River Publishers
Colecția River Publishers

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Structural Analysis using Computational Chemistry

Descriere

Structural Analysis using Computational Chemistry arises from the need to present the progress of computational chemistry in various application areas.