Metal-organic frameworks : materials modeling towards engineering applications / / edited by Jianwen Jiang
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| Titolo: |
Metal-organic frameworks : materials modeling towards engineering applications / / edited by Jianwen Jiang
|
| Pubblicazione: | [Singapore] : , : Pan Stanford, , 2014 |
| Descrizione fisica: | 1 online resource (572 p.) |
| Disciplina: | 661.895 |
| Soggetto topico: | Organometallic compounds - Industrial applications |
| Porous materials - Industrial applications | |
| Organometallic compounds - Mathematical models | |
| Porous materials - Mathematical models | |
| Supramolecular organometallic chemistry | |
| Persona (resp. second.): | JiangJianwen |
| Note generali: | Description based upon print version of record. |
| Nota di bibliografia: | Includes bibliographical references at the end of each chapters. |
| Nota di contenuto: | ""Cover""; ""Contents""; ""Foreword""; ""Preface""; ""Chapter 1: Computational Approaches to the Design, Crystal Structure Prediction, and Structure�Property Relationships of Metal�Organic Frameworks""; ""Chapter 2: On the Application of Classical Molecular Simulations of Adsorption in Metal�Organic Frameworks""; ""Chapter 3: Modeling the Adsorption of Small Molecules at Coordinatively Unsaturated Metal Sites: Density Functional Theory and Molecular Mechanics Approaches"" |
| ""Chapter 4: Accurate ab initio Description of Adsorption on Coordinatively Unsaturated Sites in Metal�Organic Frameworks""""Chapter 5: Modeling Sorbate Equilibria and Transport in Porous Coordination Polymers""; ""Chapter 6: Modeling Quantum Effects on Adsorption and Diffusion of Hydrogen in Metal�Organic Frameworks""; ""Chapter 7: Molecular Modeling of Gas Separation in Metal�Organic Frameworks""; ""Chapter 8: Molecular Modeling of Metal�Organic Frameworks for Carbon Dioxide Separation Applications""; ""Chapter 9: Modeling of Zeolitic-Like Hybrid Materials for Gas Separation"" | |
| ""Chapter 10: Modeling Adsorptive Separations Using Metal�Organic Frameworks""""Chapter 11: Computer Simulations of Ionic Metal�Organic Frameworks""; ""Chapter 12: Computational Modeling of Catalysis in Metal�Organic Frameworks""; ""Chapter 13: Modeled Catalytic Properties of MOF-Based Compounds""; ""Back Cover"" | |
| Titolo autorizzato: | Metal-Organic Frameworks |
| ISBN: | 0-429-07632-0 |
| 981-4613-46-0 | |
| Formato: | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione: | Inglese |
| Record Nr.: | 9910829138403321 |
| Lo trovi qui: | Univ. Federico II |
| Opac: | Controlla la disponibilità qui |