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Author Hinchliffe, Alan.

Title Chemical modeling : from atoms to liquids / Alan Hinchliffe
Published Chichester : J. Wiley, [1999]


Location Call no. Vol. Availability
 W'PONDS  541.2 Hin/Cmf  AVAILABLE
Description xviii,395 pages : illustrations ; 26 cm
Contents 1. Describing Macroscopic Systems -- 2. Thermodynamics -- 3. Resume of Classical Mechanics -- 4. Modeling Simple Solids (i) -- 5. Introduction to Quantum Mechanics -- 6. Electric Multipoles, Polarizabilities and Intermolecular Forces -- 7. Some Statistical Ideas -- 8. Applications of the Boltzmann Distribution -- 9. Modeling Simple Solids (ii) -- 10. Molecular Mechanics -- 11. Molecular Dynamics and Monte Carlo Techniques -- 12. The Ideal Monatomic Gas -- 13. Quantum Gases -- 14. Introduction to Statistical Thermodynamics -- 15. Modeling Atoms -- 16. Diatomics -- 17. Quantum Modeling of Larger Systems -- 18. Describing Electron Correlation -- 19. The Band Theory of Solids -- 20. Modeling Polymeric Materials -- 21. Modeling Liquids -- App. A Mathematical Toolkit
Summary "Chemical Modeling: From Atoms to Liquids" examines materials in terms of the basic properties of atoms, molecules and polymer chains. In particular, the interactions between these fundamental building blocks and the intermolecular and intramolecular potentials are examined. Fundamental theories of the constituent particles are covered, introducing and developing classical mechanics and quantum mechanics from basics. These theories are then applied to modeling, developing models from both classical mechanics and quantum mechanics. The book aims to make this subject both appealing and relevant, whilst avoiding excessive mathematical rigour. Carefully structured, the text starts by introducing classical, quantum and statistical mechanics, before moving on to cover the modeling of solids, gases and liquids. To bring the subject alive, many real life examples and applications have been included. This book brings together the often scattered and diffuse background information that is essential for a full understanding of chemical modeling
Notes Includes index
Bibliography Includes bibliographical references (page [389]) and index
Subject Chemistry, Physical and theoretical -- Computer simulation.
Chemistry, Physical and theoretical -- Mathematical models.
LC no. 99032077
ISBN 0471999040 paperback
0471999032 cased