Molecular Approach to Solids

✍ Scribed by A.N. Lazarev (Eds.)

• Publisher: Elsevier, Academic Press
• Year: 1998
• Tongue: English
• Leaves: 375
• Series: Vibrational Spectra and Structure 23
• Category: Library

✦ Synopsis

The current volume in the series Vibrational Spectra and Structure is a single topic volume on the vibrational spectra of molecules containing silicon in the solid state. Molecular Approaches to Solids has been treated by the workers in the Institute for Silicate Chemistry of the Russian Academy of Science in St. Petersburg for the past two decades. In the last 15 years, a number of publications have originated from the laboratory where quantum mechanical computations for suitably selected molecules have been utilized to explain the origins of some structure bonding interrelationships and silicates and to evaluate their force constants.Since most of the developments in this area have been published in the Russian literature they remain relatively inaccessible to the Western scientists. This volume is a compilation of many of these publications and summarizes the essential conclusions of these studies.Unfortunately, Professor Lazarev passed away after he had submitted the volume for publication.

✦ Table of Contents

Content:
Preface to the series
Page v
James R. Durig

Preface to volume 23
Page vii
James R. Durig

Preface by the author
Pages ix-xi
A.N. Lazarev

Contents of other volumes
Pages xvii-xxiii

Chapter 1 Quantum chemistry of molecular systems relating to the crystal chemistry and lattice dynamics of silicates Original Research Article
Pages 1-81

Chapter 2 Introduction to the dynamical theory of crystals and application of approaches originating from the theory of molecular vibrations Original Research Article
Pages 83-189

Chapter 3 Molecular quantum mechanics in the evaluation of interactions of less localized origin Original Research Article
Pages 191-246

Chapter 4 The AB initio molecular force constants in lattice dynamics computations Original Research Article
Pages 247-336

Author index
Pages 337-345

Subject index
Pages 347-349