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Prologue | |
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Historical introduction | |
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Introduction | |
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Chemical bonds | |
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The ionic model | |
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Quantum mechanics | |
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The symmetry model | |
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Topological models | |
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Pauling's electrostatic valence model | |
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Theory | |
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The ionic bond | |
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Introduction | |
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Crystal energy and the Coulomb field | |
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How are the atom fragments chosen? | |
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The Madelung field of a crystal | |
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Bond networks and bond graphs | |
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Coordination number | |
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Conclusions | |
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The bond valence model | |
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Experimental bond valences and bond lengths | |
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Empirical network equations | |
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The bond valence model | |
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The distortion theorem | |
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Bond networks with non-bipartite graphs | |
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Chemistry | |
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Anion and cation bonding strengths | |
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Bond graphs and coordination number | |
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Anion bonding strength | |
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Cation bonding strength | |
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The valence matching principle | |
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Hard and soft acids and bases | |
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Applications of the valence matching principle | |
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Liquids | |
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Introduction | |
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Cation and anion bonding strength of water | |
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Reactions of cations with water | |
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Reactions of anions with water | |
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Aqueous solubility | |
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Aqueous solutions of soft ions | |
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Non-aqueous solutions and melts | |
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Cation coordination number | |
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Introduction | |
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Anion-anion repulsion | |
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The strength of the anions | |
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Other factors | |
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Applying the different effects | |
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Hydrogen bonds | |
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Introduction | |
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The role of anion-anion repulsion | |
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The normal hydrogen bond | |
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Strong hydrogen bonds | |
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Weak hydrogen bonds | |
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The structural chemistry of hydrogen bonds | |
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Other types of hydrogen bonds | |
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Assigning experimental bond valences to hydrogen bonds | |
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Electronically distorted structures | |
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The origins of electronic distortion | |
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Non-bonding valence shell electrons | |
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Transition metals | |
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Jahn-Teller distorted cations | |
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Transition-metal cations with empty or near-empty d shells | |
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Conclusions | |
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Physical properties of bonds | |
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Introduction | |
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Bond lengths and bond angles | |
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Bond force constants and thermal vibrations | |
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Thermal expansion | |
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The variation of R[subscript 0] with temperature | |
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Solids | |
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Space and space groups | |
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Introduction | |
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The crystal lattice and translational symmetry | |
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Space groups | |
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Special positions | |
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Matching the special positions to the chemistry | |
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The symmetry of bonded neighbours | |
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Summary | |
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Modelling inorganic structures | |
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The problem of a priori modelling | |
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Determining the topology | |
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Space-based approaches | |
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Chemistry-based approaches | |
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Valence maps | |
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Refining the geometry | |
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Modelling defect structures | |
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Modelling glasses | |
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Summary | |
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Lattic-induced strain | |
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The origins of lattice-induced strain | |
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Structures with lattice-induced strain | |
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Relaxation of lattice-induced strains | |
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Relaxation of the geometry | |
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Relaxation by defects | |
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Electronic relaxation | |
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Relaxation of symmetry--displacive phase transitions | |
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Changing the bond graph--reconstructive phase transitions | |
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Incommensurate structures | |
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Summary | |
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Applications and implications | |
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Applications | |
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Introduction | |
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Crystallography | |
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Structure solution | |
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Analysis of crystal structures | |
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Physics | |
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Perovskite-related solids | |
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Electrical properties | |
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Magnetic properties | |
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Grain boundaries | |
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Mineralogy | |
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Soil chemistry | |
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Zeolites | |
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Glasses | |
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Chemistry | |
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Nuclear magnetic resonance | |
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Transition-metal complexes | |
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Heterogeneous catalysis | |
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Esterification and hydrolysis | |
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Biology | |
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Enzymes | |
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Calcium and sodium binding by proteins | |
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Databases | |
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Chemical implications of the bond valence model | |
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Why is the bond valence model so robust? | |
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The attractive force | |
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The repulsive force | |
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Two-body potential models | |
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The properties of the bond graph | |
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The Lewis electron-pair model | |
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Why are cations different from anions? | |
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Orbital models | |
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Electron density models | |
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The topology of the Madelung field | |
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Conclusions | |
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Appendices | |
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Bond valence parameters | |
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Space group spectra | |
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Solution of the network equations | |
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Cation and anion bonding strengths | |
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References to the ICSD and the CSD | |
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References | |
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List of symbols | |
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Index | |