UID:
almafu_9958132335302883
Format:
1 online resource (346 p.)
ISBN:
1-299-36312-1
,
0-323-14147-1
Content:
Structure and Bonding in crystals
Note:
Description based upon print version of record.
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Front Cover; Structure and Bonding in Crystals; Copyright Page; Table of Contents; List of Contributors; Preface; Contents of Volume II; Chapter 1. Historical Perspective; Chapter 2. Quantum Theory and Crystal Chemistry; References; Chapter 3. Pseudopotentials and Crystal Structure; I. Introduction; II. Pseudopotentials; III. Conclusions and the Future; References; Chapter 4. Quantum-Defect Orbital Radii and the Structural Chemistry of Simple Solids; I. Introduction; II. Review of Some Fundamental Concepts; III. Relationship of the Orbital Radii to Hartree-Fock Wavefunctions
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IV. Orbital Electronegativities and Renormalized Orbital RadiiV. The Problem of the Octet Binary Compounds; VI. Conclusions; References; Chapter 5. A Pseudopotential Viewpoint of the Electronic and Structural Properties of Crystals; I. Introduction; II. Pseudopotentials and Structural Scales; III. First-Principles Density-Functional Pseudopotentials; IV. Trends in Orbital Radii; V. Separation of Crystal Structural of 565 Binary AB Compounds; VI. Summary; References; Chapter 6. Elementary Quantitative Theory of Chemical Bonding; I. Introduction; II. The Formulation; III. The Bonding Energy
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IV. Fourth-Order TermsV. The Chemical Grip; VI. AB Compounds; VII. The Role of Noble Metal d States,Ion Distortion; VIII. The s-p Hybridization Energy; IX. The Oxygen Bridge; X. Tetrahedral Complexes; XI. Perovskites; The s-d Hybridization Energy; XII. Central-Atom Hybrids and Bond Orbitals; References; Chapter 7. The Role and Significance of Empirical and Semiempirical Correlations; I. Introduction; II. Bonding Models; III. Correlation of Electronic Configuration and Crystal Structure; IV. Application of a Semiempirical Correlation; References
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Chapter 8. Theoretical Probes of Bonding in the Disiloxy GroupI. Introduction; II. Theoretical Considerations; III. Computational Details; IV. Results and Discussion; V. Conclusions; References; Chapter 9. A Comparison of Experimental and Theoretical Bond Length and Angle Variations for Minerals, Inorganic Solids,and Moleculses; I. Introduction; II. Molecular Orbital Method; III. The Molecular Structure of Orthosilicic Acid,Si(OH)4: A Comparison with the Shapes of Sio 3(OH)3 _and SiO2(OH)2/2-Anions in Hydrated Silicates
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IV. Force Constants and Optimized Geometry for theDisiloxy Unit of the Pyrosilicic Acid Molecule,H6Si2O7: A Comparison with Experimental Geometriesand the Bulk Modulus of the Silica PolymorphsV. Si -Ο Bridging Bond Length-Bond Strength Sum and Angle Variations; VI. Geometries of Molecules and Related Groups in Solids; VII. Conclusions; References; Chapter 10. The Role of Nonbonded Forces in Crystals; I. Introduction; II. Structures Derived from That of Cristobalite; III. Nonbonded or ""One-Angle"" Atomic Radii; IV. Applications of Nonbonded Radii in Crystal Chemistry
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V. Nonbonded Interaction Potentials
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English
Additional Edition:
ISBN 0-12-525101-7
Language:
English
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