ISBN-10:
0471186430
ISBN-13:
9780471186434
Pub. Date:
07/11/1996
Publisher:
Wiley
Introduction to Theoretical Organic Chemistry and Molecular Modelling / Edition 1

Introduction to Theoretical Organic Chemistry and Molecular Modelling / Edition 1

by William B. Smith

Hardcover

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Product Details

ISBN-13: 9780471186434
Publisher: Wiley
Publication date: 07/11/1996
Pages: 208
Product dimensions: 6.38(w) x 9.57(h) x 0.65(d)

About the Author

William B. Smith is the author of Introduction to Theoretical Organic Chemistry and Molecular Modelling, published by Wiley.

Table of Contents

The Hydrogen Atom and the Hydrogen Molecule.

Hückel Molecular Orbital Theory.

The PMO Method.

Aromaticity, Antiaromaticity and Resonance.

Chemical Reactivity via Hückel Theory.

Pericyclic Reactions, Orbital Symmetry, PMO and Frontier MO Theories.

Improvements on the Hückel Theory.

Molecular Modelling-Molecular Mechanics.

Molecular Modeling-Semiemprirical Methods.

Molecular Modelling-AB initio Methods and Density Functional Theory.

Molecular Modelling-NMR Spectroscopy and Moelcular Structure.

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