Structural Analysis using Computational Chemistry

Norma-Aurea Rangel-Vázquez

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English

River Publishers
21 October 2024

Mathematics & Sciences; Plastics & polymers technology; Materials science

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

Edited by: Norma-Aurea Rangel-Vázquez
Imprint: River Publishers
Country of Publication: Denmark
Dimensions: Height: 234mm, Width: 156mm,
Weight: 335g
ISBN: 9788770044561
ISBN 10: 8770044562
Pages: 182
Publication Date: 21 October 2024
Audience: College/higher education , Further / Higher Education
Format: Paperback
Publisher's Status: Active

Structural Analysis using Computational Chemistry