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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 Visualizza cluster
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  Visualizza cluster
ISBN: 0-429-07632-0
981-4613-46-0
Formato: Materiale a stampa
Livello bibliografico Monografia
Lingua di pubblicazione: Inglese
Record Nr.: 9910787837403321
Lo trovi qui: Univ. Federico II
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