Molecular Approach to Solids: Vibrational Spectra and Structure, cartea 23
Autor A.N. Lazarev Editat de J.R. Durigen Limba Engleză Hardback – 8 iul 1998
Unfortunately, Professor Lazarev passed away after he had submitted the volume for publication.
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Specificații
ISBN-13: 9780444500397
ISBN-10: 0444500391
Pagini: 348
Dimensiuni: 156 x 234 x 22 mm
Greutate: 0.7 kg
Editura: ELSEVIER SCIENCE
Seria Vibrational Spectra and Structure
ISBN-10: 0444500391
Pagini: 348
Dimensiuni: 156 x 234 x 22 mm
Greutate: 0.7 kg
Editura: ELSEVIER SCIENCE
Seria Vibrational Spectra and Structure
Cuprins
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. 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. 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. 4. The Ab Initio Molecular Force Constants in Lattice Dynamics Computations. I. Molecular force constants in dynamical model of &agr;-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.