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Metal-organic frameworks : materials modeling towards engineering applications / / edited by Jianwen Jiang
| Metal-organic frameworks : materials modeling towards engineering applications / / edited by Jianwen Jiang |
| Pubbl/distr/stampa | [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 |
| ISBN |
0-429-07632-0
981-4613-46-0 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| 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"" |
| Record Nr. | UNINA-9910787837403321 |
| [Singapore] : , : Pan Stanford, , 2014 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Metal-organic frameworks : materials modeling towards engineering applications / / edited by Jianwen Jiang
| Metal-organic frameworks : materials modeling towards engineering applications / / edited by Jianwen Jiang |
| Pubbl/distr/stampa | [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 |
| ISBN |
0-429-07632-0
981-4613-46-0 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| 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"" |
| Record Nr. | UNINA-9910829138403321 |
| [Singapore] : , : Pan Stanford, , 2014 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||