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Record Nr. |
UNINA9910787837403321 |
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Titolo |
Metal-organic frameworks : materials modeling towards engineering applications / / edited by Jianwen Jiang |
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Pubbl/distr/stampa |
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[Singapore] : , : Pan Stanford, , 2014 |
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ISBN |
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0-429-07632-0 |
981-4613-46-0 |
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Descrizione fisica |
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1 online resource (572 p.) |
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Disciplina |
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Soggetti |
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Organometallic compounds - Industrial applications |
Porous materials - Industrial applications |
Organometallic compounds - Mathematical models |
Porous materials - Mathematical models |
Supramolecular organometallic chemistry |
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Lingua di pubblicazione |
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Formato |
Materiale a stampa |
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Livello bibliografico |
Monografia |
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Note generali |
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Description based upon print version of record. |
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Nota di bibliografia |
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Includes bibliographical references at the end of each chapters. |
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Nota di contenuto |
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""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"" |
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