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Making crystals by design [[electronic resource] ] : methods, techniques and applications / / edited by Dario Braga and Fabrizia Grepioni
| Making crystals by design [[electronic resource] ] : methods, techniques and applications / / edited by Dario Braga and Fabrizia Grepioni |
| Pubbl/distr/stampa | Weinheim, : Wiley-VCH, c2007 |
| Descrizione fisica | 1 online resource (363 p.) |
| Disciplina | 548 |
| Altri autori (Persone) |
BragaDario
GrepioniFabrizia |
| Soggetto topico |
Crystals
Crystal growth Crystallography |
| Soggetto genere / forma | Electronic books. |
| ISBN |
1-280-85446-4
9786610854462 3-527-61011-1 3-527-60965-2 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Making Crystals by Design; List of Contents; Preface; List of Contributors; 1 Geometry and Energetics; 1.1 Supramolecular Interactions: Energetic Considerations; 1.1.1 Introduction; 1.1.2 Enthalpy; 1.1.2.1 The Quantistic Approach: Molecular Orbital (MO) Theory; 1.1.2.2 The Quantistic Approach: Density Functional Theory (DFT); 1.1.2.3 The Quantistic Approach: the Crystal Orbital Method; 1.1.2.4 The Classical Approach: Vibrational and Nonbonded ("Force Field") Energies; 1.1.2.5 Semi-classical Approaches: the SCDS-Pixel Method; 1.1.2.6 Supramolecular Energies; 1.1.3 Entropy
1.1.3.1 Statistical and Classical Entropy1.1.3.2 Lattice Dynamics [15] and Lattice Vibration Frequencies; 1.1.3.3 Entropy and Dynamic Simulation; 1.1.4 Free Energy; 1.1.4.1 Complexation and Evaporation/Sublimation; 1.1.4.2 Melting and Polymorphism; 1.1.5 Tutorial Examples; 1.1.5.1 Dimerization Energies, a Scale of Intermolecular Interactions; 1.1.5.2 Calculation of Lattice Energies, Force Field Methods versus Pixel; 1.1.5.3 Energy Partitioning by Pixel; 1.1.5.4 Analysis of Crystal Structures 1.2 Understanding the Nature of the Intermolecular Interactions in Molecular Crystals. A Theoretical Perspective1.2.1 Introduction; 1.2.2 Intermolecular Interactions; 1.2.2.1 Interactions and Bonds: When Do Intermolecular Interactions Become Bonds?; 1.2.2.2 The Nature of the Intermolecular Interactions; 1.2.2.3 Types of Intermolecular Interactions and Intermolecular Bonds Found in Molecular Crystals; 1.2.2.4 Hydrogen Bonds; 1.2.2.5 Existence of Intermolecular Bonds in Crystals; 1.2.2.6 Intermolecular Bonds in Crystals; 1.2.3 Summary; 1.3 Networks, Topologies, and Entanglements 1.3.1 Introduction1.3.2 Rationalization and Simplification of the Extended Structures; 1.3.3 Topological Classification of Networks; 1.3.3.1 Nomenclature for Single Nets: Schläfli and Vertex Symbols; 1.3.3.2 Tiling Theory and Topological Approaches to Making Crystals; 1.3.3.3 Self-catenated Networks; 1.3.4 Entangled Systems; 1.3.4.1 Types of Entanglements; 1.3.4.2 Interpenetrating Networks; 1.3.4.3 Polycatenated Networks; 1.3.4.4 Borromean Networks; 1.3.4.5 Other Entanglements; 1.3.5 Conclusions; 2 Design and Reactivity; 2.1 Prediction of Reactivity in Solid-state Chemistry 2.1.1 Introduction2.1.2 Topochemistry and Topotaxy; 2.1.3 Far-reaching Molecular Migrations in Solid-state Reactions (AFM, GID, SNOM) and Experimental Solid-state Mechanism; 2.1.4 Face Selectivity of Reactivity; 2.1.5 Some of the Important Failures of Topochemistry and Their Remedy by the Experimental Mechanism; 2.1.6 Molecular Migrations in the Absence of Severe Local Pressure; 2.1.7 Multiple Cleavage Planes; 2.1.8 Various Types of Cleavage Planes; 2.1.9 Channels; 2. 1.10 Closed Voids; 2. 1.11 Interpretation of Some Recent Literature Data 2. 1.12 Applications in Addition to Solid-state Syntheses |
| Record Nr. | UNINA-9910144263003321 |
| Weinheim, : Wiley-VCH, c2007 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Making crystals by design [[electronic resource] ] : methods, techniques and applications / / edited by Dario Braga and Fabrizia Grepioni
| Making crystals by design [[electronic resource] ] : methods, techniques and applications / / edited by Dario Braga and Fabrizia Grepioni |
| Pubbl/distr/stampa | Weinheim, : Wiley-VCH, c2007 |
| Descrizione fisica | 1 online resource (363 p.) |
| Disciplina | 548 |
| Altri autori (Persone) |
BragaDario
GrepioniFabrizia |
| Soggetto topico |
Crystals
Crystal growth Crystallography |
| ISBN |
1-280-85446-4
9786610854462 3-527-61011-1 3-527-60965-2 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Making Crystals by Design; List of Contents; Preface; List of Contributors; 1 Geometry and Energetics; 1.1 Supramolecular Interactions: Energetic Considerations; 1.1.1 Introduction; 1.1.2 Enthalpy; 1.1.2.1 The Quantistic Approach: Molecular Orbital (MO) Theory; 1.1.2.2 The Quantistic Approach: Density Functional Theory (DFT); 1.1.2.3 The Quantistic Approach: the Crystal Orbital Method; 1.1.2.4 The Classical Approach: Vibrational and Nonbonded ("Force Field") Energies; 1.1.2.5 Semi-classical Approaches: the SCDS-Pixel Method; 1.1.2.6 Supramolecular Energies; 1.1.3 Entropy
1.1.3.1 Statistical and Classical Entropy1.1.3.2 Lattice Dynamics [15] and Lattice Vibration Frequencies; 1.1.3.3 Entropy and Dynamic Simulation; 1.1.4 Free Energy; 1.1.4.1 Complexation and Evaporation/Sublimation; 1.1.4.2 Melting and Polymorphism; 1.1.5 Tutorial Examples; 1.1.5.1 Dimerization Energies, a Scale of Intermolecular Interactions; 1.1.5.2 Calculation of Lattice Energies, Force Field Methods versus Pixel; 1.1.5.3 Energy Partitioning by Pixel; 1.1.5.4 Analysis of Crystal Structures 1.2 Understanding the Nature of the Intermolecular Interactions in Molecular Crystals. A Theoretical Perspective1.2.1 Introduction; 1.2.2 Intermolecular Interactions; 1.2.2.1 Interactions and Bonds: When Do Intermolecular Interactions Become Bonds?; 1.2.2.2 The Nature of the Intermolecular Interactions; 1.2.2.3 Types of Intermolecular Interactions and Intermolecular Bonds Found in Molecular Crystals; 1.2.2.4 Hydrogen Bonds; 1.2.2.5 Existence of Intermolecular Bonds in Crystals; 1.2.2.6 Intermolecular Bonds in Crystals; 1.2.3 Summary; 1.3 Networks, Topologies, and Entanglements 1.3.1 Introduction1.3.2 Rationalization and Simplification of the Extended Structures; 1.3.3 Topological Classification of Networks; 1.3.3.1 Nomenclature for Single Nets: Schläfli and Vertex Symbols; 1.3.3.2 Tiling Theory and Topological Approaches to Making Crystals; 1.3.3.3 Self-catenated Networks; 1.3.4 Entangled Systems; 1.3.4.1 Types of Entanglements; 1.3.4.2 Interpenetrating Networks; 1.3.4.3 Polycatenated Networks; 1.3.4.4 Borromean Networks; 1.3.4.5 Other Entanglements; 1.3.5 Conclusions; 2 Design and Reactivity; 2.1 Prediction of Reactivity in Solid-state Chemistry 2.1.1 Introduction2.1.2 Topochemistry and Topotaxy; 2.1.3 Far-reaching Molecular Migrations in Solid-state Reactions (AFM, GID, SNOM) and Experimental Solid-state Mechanism; 2.1.4 Face Selectivity of Reactivity; 2.1.5 Some of the Important Failures of Topochemistry and Their Remedy by the Experimental Mechanism; 2.1.6 Molecular Migrations in the Absence of Severe Local Pressure; 2.1.7 Multiple Cleavage Planes; 2.1.8 Various Types of Cleavage Planes; 2.1.9 Channels; 2. 1.10 Closed Voids; 2. 1.11 Interpretation of Some Recent Literature Data 2. 1.12 Applications in Addition to Solid-state Syntheses |
| Record Nr. | UNINA-9910830381403321 |
| Weinheim, : Wiley-VCH, c2007 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Making crystals by design [[electronic resource] ] : methods, techniques and applications / / edited by Dario Braga and Fabrizia Grepioni
| Making crystals by design [[electronic resource] ] : methods, techniques and applications / / edited by Dario Braga and Fabrizia Grepioni |
| Pubbl/distr/stampa | Weinheim, : Wiley-VCH, c2007 |
| Descrizione fisica | 1 online resource (363 p.) |
| Disciplina | 548 |
| Altri autori (Persone) |
BragaDario
GrepioniFabrizia |
| Soggetto topico |
Crystals
Crystal growth Crystallography |
| ISBN |
1-280-85446-4
9786610854462 3-527-61011-1 3-527-60965-2 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Making Crystals by Design; List of Contents; Preface; List of Contributors; 1 Geometry and Energetics; 1.1 Supramolecular Interactions: Energetic Considerations; 1.1.1 Introduction; 1.1.2 Enthalpy; 1.1.2.1 The Quantistic Approach: Molecular Orbital (MO) Theory; 1.1.2.2 The Quantistic Approach: Density Functional Theory (DFT); 1.1.2.3 The Quantistic Approach: the Crystal Orbital Method; 1.1.2.4 The Classical Approach: Vibrational and Nonbonded ("Force Field") Energies; 1.1.2.5 Semi-classical Approaches: the SCDS-Pixel Method; 1.1.2.6 Supramolecular Energies; 1.1.3 Entropy
1.1.3.1 Statistical and Classical Entropy1.1.3.2 Lattice Dynamics [15] and Lattice Vibration Frequencies; 1.1.3.3 Entropy and Dynamic Simulation; 1.1.4 Free Energy; 1.1.4.1 Complexation and Evaporation/Sublimation; 1.1.4.2 Melting and Polymorphism; 1.1.5 Tutorial Examples; 1.1.5.1 Dimerization Energies, a Scale of Intermolecular Interactions; 1.1.5.2 Calculation of Lattice Energies, Force Field Methods versus Pixel; 1.1.5.3 Energy Partitioning by Pixel; 1.1.5.4 Analysis of Crystal Structures 1.2 Understanding the Nature of the Intermolecular Interactions in Molecular Crystals. A Theoretical Perspective1.2.1 Introduction; 1.2.2 Intermolecular Interactions; 1.2.2.1 Interactions and Bonds: When Do Intermolecular Interactions Become Bonds?; 1.2.2.2 The Nature of the Intermolecular Interactions; 1.2.2.3 Types of Intermolecular Interactions and Intermolecular Bonds Found in Molecular Crystals; 1.2.2.4 Hydrogen Bonds; 1.2.2.5 Existence of Intermolecular Bonds in Crystals; 1.2.2.6 Intermolecular Bonds in Crystals; 1.2.3 Summary; 1.3 Networks, Topologies, and Entanglements 1.3.1 Introduction1.3.2 Rationalization and Simplification of the Extended Structures; 1.3.3 Topological Classification of Networks; 1.3.3.1 Nomenclature for Single Nets: Schläfli and Vertex Symbols; 1.3.3.2 Tiling Theory and Topological Approaches to Making Crystals; 1.3.3.3 Self-catenated Networks; 1.3.4 Entangled Systems; 1.3.4.1 Types of Entanglements; 1.3.4.2 Interpenetrating Networks; 1.3.4.3 Polycatenated Networks; 1.3.4.4 Borromean Networks; 1.3.4.5 Other Entanglements; 1.3.5 Conclusions; 2 Design and Reactivity; 2.1 Prediction of Reactivity in Solid-state Chemistry 2.1.1 Introduction2.1.2 Topochemistry and Topotaxy; 2.1.3 Far-reaching Molecular Migrations in Solid-state Reactions (AFM, GID, SNOM) and Experimental Solid-state Mechanism; 2.1.4 Face Selectivity of Reactivity; 2.1.5 Some of the Important Failures of Topochemistry and Their Remedy by the Experimental Mechanism; 2.1.6 Molecular Migrations in the Absence of Severe Local Pressure; 2.1.7 Multiple Cleavage Planes; 2.1.8 Various Types of Cleavage Planes; 2.1.9 Channels; 2. 1.10 Closed Voids; 2. 1.11 Interpretation of Some Recent Literature Data 2. 1.12 Applications in Addition to Solid-state Syntheses |
| Record Nr. | UNINA-9910840784603321 |
| Weinheim, : Wiley-VCH, c2007 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||