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Metal-organic frameworks : materials modeling towards engineering applications /
| Clasificación: | Libro Electrónico |
|---|---|
| Otros Autores: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
[Singapore] :
Pan Stanford,
2014.
|
| Temas: | |
| Acceso en línea: | Texto completo |
Tabla de Contenidos:
- Computational approaches to the design, crystal structure prediction, and structure-property relationships of metal-organic frameworks
- On the application of classical molecular simulations of adsorption in metal-organic frameworks
- Modeling the adsorption of small molecules at coordinatively unsaturated metal sites : density functional theory and molecular mechanics approaches
- Accurate ab initio description of adsorption on coordinatively unsaturated sites in metal-organic frameworks
- Modeling sorbate equilibria and transport in porous coordination polymers
- Modeling quantum effects on adsorption and diffusion of hydrogen in metal-organic frameworks
- Molecular modeling of gas separation in metal-organic frameworks
- Molecular modeling of metal-organic frameworks for carbon dioxide separation applications
- Modeling of zeolitic-like hybrid materials for gas separation
- Modeling adsorptive separations using metal-organic frameworks
- Computer simulations of ionic metal-organic frameworks
- Computational modeling of catalysis in metal-organic frameworks
- Modeled catalytic properties of MOF-based compounds.