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Models for Bonding in Chemistry.

A readable little book assisting the student in understanding, in a nonmathematical way, the essentials of the different bonds occurring in chemistry. Starting with a short, self-contained, introduction, Chapter 1 presents the essential elements of the variation approach to either total or second-or...

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Detalles Bibliográficos
Clasificación:Libro Electrónico
Autor principal: Magnasco, Valerio
Formato: Electrónico eBook
Idioma:Inglés
Publicado: Hoboken : John Wiley & Sons, 2011.
Edición:2nd ed.
Temas:
Acceso en línea:Texto completo

MARC

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505 0 |a Cover; Title page; Copyright; Dedication; Preface; 1: Mathematical Foundations; 1.1 MATRICES AND SYSTEMS OF LINEAR EQUATIONS; 1.2 PROPERTIES OF EIGENVALUES AND EIGENVECTORS; 1.3 VARIATIONAL APPROXIMATIONS; 1.4 ATOMIC UNITS; 1.5 THE ELECTRON DISTRIBUTION IN MOLECULES; 1.6 EXCHANGE-OVERLAP DENSITIES AND THE CHEMICAL BOND; Part 1: Short-range Interactions; 2: The Chemical Bond; 2.1 AN ELEMENTARY MOLECULAR ORBITAL MODEL; 2.2 BOND ENERGIES AND PAULI REPULSIONS IN HOMONUCLEAR DIATOMICS; 2.3 MULTIPLE BONDS; 2.4 THE THREE-CENTRE DOUBLE BOND IN DIBORANE; 2.5 THE HETEROPOLAR BOND. 
505 8 |a 2.6 STEREOCHEMISTRY OF POLYATOMIC MOLECULES2.7 sp-HYBRIDIZATION EFFECTS IN FIRST-ROW HYDRIDES; 2.8 DELOCALIZED BONDS; 2.9 APPENDICES; 3: An Introduction to Bonding in Solids; 3.1 THE LINEAR POLYENE CHAIN; 3.2 THE CLOSED POLYENE CHAIN; 3.3 A MODEL FOR THE ONE-DIMENSIONAL CRYSTAL; 3.4 ELECTRONIC BANDS IN CRYSTALS; 3.5 INSULATORS, CONDUCTORS, SEMICONDUCTORS AND SUPERCONDUCTORS; 3.6 APPENDIX: THE TRIGONOMETRIC IDENTITY; Part 2: Long-Range Interactions; 4: The van der Waals Bond; 4.1 INTRODUCTION; 4.2 ELEMENTS OF RAYLEIGH-SCHRÖDINGER (RS)PERTURBATION THEORY; 4.3 MOLECULAR INTERACTIONS. 
505 8 |a 4.4 THE TWO-STATE MODEL OF LONG-RANGE INTERACTIONS4.5 THE van der WAALS INTERACTIONS; 4.6 THE C6 DISPERSION COEFFICIENT FOR THE H--H INTERACTION; 4.7 THE van der WAALS BOND; 4.8 THE KEESOM INTERACTION; 5: The Hydrogen Bond; 5.1 A MOLECULAR ORBITAL MODEL OF THE HYDROGEN BOND; 5.2 ELECTROSTATIC INTERACTIONS AND THE HYDROGEN BOND; 5.3 THE ELECTROSTATIC MODEL OF THE HYDROGEN BOND; 5.4 THE Rg-HF HETERODIMERS; References; Author Index; Subject Index. 
520 |a A readable little book assisting the student in understanding, in a nonmathematical way, the essentials of the different bonds occurring in chemistry. Starting with a short, self-contained, introduction, Chapter 1 presents the essential elements of the variation approach to either total or second-order molecular energies, the system of atomic units (au) necessary to simplify all mathematical expressions, and an introductory description of the electron distribution in molecules. Using mostly 2x2 Hückel secular equations, Chapter 2, by far the largest part of the book because of the many implicat. 
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