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Molecular approach to solids /
The current volume in the series <IT>Vibrational Spectra and Structure</IT> is a single topic volume on the vibrational spectra of molecules containing silicon in the solid state. <IT>Molecular Approaches to Solids</IT> has been treated by the workers in the Institute for Sil...
| Clasificación: | Libro Electrónico |
|---|---|
| Autor principal: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Amsterdam ; New York :
Elsevier,
1998.
|
| Colección: | Vibrational spectra and structure ;
v. 23. |
| Temas: | |
| Acceso en línea: | Texto completo Texto completo |
Tabla de Contenidos:
- Cover
- TABLE OF CONTENTS
- PREFACE TO THE SERIES
- PREFACE TO VOLUME 23
- PREFACE BY THE AUTHOR
- CONTENTS OF OTHER VOLUMES
- CHAPTER 1. QUANTUM CHEMISTRY OF MOLECULAR SYSTEMS RELATING TO THE CRYSTAL CHEMISTRY AND LATTICE DYNAMICS OF SILICATES
- I . Computational Methods and Wave Functions
- II . A Single Si-O Bond at the Silicon Atom
- III . Systems with Tetrahedral Oxygen Coordination of Silicon
- IV . Quantum Mechanical Computations for Some Ionic Clusters and their Relation to the Crystal Chemistry of Silicates
- References
- CHAPTER 2. INTRODUCTION TO THE DYNAMICAL THEORY OF CRYSTALS AND APPLICATION OF APPROACHES ORIGINATING FROM THE THEORY OF MOLECULAR VIBRATIONS
- I . The Elements of Dynamical Theory of Crystal Lattice
- II . A Compatibility of Molecular Force Constants with the Explicit Treatment of Coulomb Interaction in a Lattice
- III . Internal Coordinates in the Description of Dynamic Properties and Lattice Stability
- IV . Several Computational Problems
- References
- CHAPTER 3. MOLECULAR QUANTUM MECHANICS IN THE EVALUATION OF INTERACTIONS OF LESS LOCALIZED ORIGIN
- I . The Ionic Charge of Oxygen in Silicon Dioxide and the Non-Bonding Oxygen-Oxygen Interactions in Crystals
- II . Tetramethoxysilane as a Model of the Silicon-Oxygen Tetrahedron in a Network of Partially Covalent Bonds
- III . The Disilicic Acid Molecule as a Model of the Fragment of a Silica Network
- References
- CHAPTER 4. THE AB INITIO MOLECULAR FORCE CONSTANTS IN LATTICE DYNAMICS COMPUTATIONS
- I . Molecular Force Constants in Dynamical Model of a-Quartz
- II . Ab Initio Force Constants of Molecular Species in Lattice Dynamics of The Quartz-Like Aluminum Phosphate
- III . Electrostatic Contribution to the Mechanical Modes of a More Polarizable Lattice: Pyroxene- Like Monoclinic Sodium Vanadate
- References
- AUTHOR INDEX
- SUBJECT INDEX
- Last Page.