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Chemical Modeling: From Atoms to Liquids

ISBN: 978-0-471-99904-1
Paperback
412 pages
October 1999
List Price: US $127.95
Government Price: US $75.48
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Describing Macroscopic Systems.

Thermodynamics.

Résumé of Classical Mechanics.

Modeling Simple Solids (i).

Introduction to Quantum Mechanics.

Electric Multipoles, Polarizabilities and Intermolecular Forces.

Some Statistical Ideas.

Applications of the Boltzmann Distribution.

Modeling Simple Solids (ii).

Molecular Mechanics.

Molecular Dynamics and Monte Carlo Techniques.

The Ideal Monatomic Gas.

Quantum Gases.

Introduction to Statistical Thermodynamics.

Modeling Atoms.

Diatomics.

Quantum Modeling of Larger Systems.

Describing Electron Correlation.

The Band Theory of Solids.

Modeling Polymeric Materials.

Modeling Liquids.

Appendices.

Suggestions for Further Reading.

Index.

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