Molecular approach to solids. (1998)

• Record Type: Book
• Further Information: Note: A.N. Lazarev.
• Other Names: Lazarev, A. N (Adrian Nikolaevich)
• Contents: 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. ;
• Publisher Details: Place of publication not identified : Elsevier Science
• Publication Date: 1998
• Extent: 1 online resource (348 pages)
• Subjects: 537.5/352 s 530.4/13; Silicates; Vibrational spectra; Molecular crystals; Molecular crystals; Silicates; Vibrational spectra; Spectres de vibration; Cristaux moléculaires; Silicates -- Spectres; Festkörper; Quantenchemie; Schwingungsspektroskopie; Silicate
• Languages: English
• ISBNs: 9780080536811; 0080536816
• Access Rights: Legal Deposit; Only available on premises controlled by the deposit library and to one user at any one time; The Legal Deposit Libraries (Non-Print Works) Regulations (UK).
• Access Usage: Restricted: Printing from this resource is governed by The Legal Deposit Libraries (Non-Print Works) Regulations (UK) and UK copyright law currently in force.