Cargando…
Structural analysis using computational chemistry /
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...
| Clasificación: | Libro Electrónico |
|---|---|
| Otros Autores: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Gistrup, Denmark :
River Publishers,
[2016]
|
| Colección: | River Publishers series in polymer science.
|
| Temas: | |
| Acceso en línea: | Texto completo |
| Sumario: | 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. |
|---|---|
| Descripción Física: | 1 online resource |
| Bibliografía: | Includes bibliographical references at the end of each chapters and index. |
| ISBN: | 9788793379961 879337996X 9781003339632 1003339638 9781000792065 1000792064 9781000795288 1000795284 |