Hinchliffe, Alan Chemical Modeling From Atoms to Liquids
  1. Edition - August 1999 71.90 Euro 1999. XVIII, 396 Pages, Softcover ISBN-10: 0-471-99904-0 ISBN-13: 978-0-471-99904-1 - John Wiley & Sons

Short description This introductory-level text/self-study guide discusses the basic properties of the atoms, molecules, and polymer chains that make up a material, paying particular attention to the interactions between these fundamental building blocks. Ideal for the practicing scientist who needs a starting point into molecular modeling, as well as students, the book provides the basic knowledge needed for chemistry, physics, and materials science research. Well-organized, the book begins with a discussion of classical, quantum, and statistical mechanics, then moves through the properties of isolated atoms and molecules to discuss the behavior of gases, solids, and liquids.
From the contents 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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