- 184 pages
- English
- ePUB (mobile friendly)
- Available on iOS & Android
Structural Analysis using Computational Chemistry
About this book
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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Information
Table of contents
- Cover
- Half Title
- Title Page
- Copyright Page
- Table of Contents
- Prologue
- Acknowledgments
- List of Contributors
- List of Figures
- List of Tables
- List of Abbreviations
- 1 Quantum Mechanics and Structural Molecular Study (AM1)
- 2 Application of Quantum Models in Molecular Analysis
- 3 Molecular Analysis of Insulin Through Controlled Adsorption in Hydrogels Based on Chitosan
- 4 Analysis and Molecular Characterization of Organic Materials for Application in Solar Cells
- 5 Determination of Thermodynamic Properties of Ionic Liquids Through Molecular Simulation
- Index
- About the Editor