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 
