Molecular Interactions: Concepts and Methods [Hardcover]

A modern, comprehensive text and reference describing intermolecular forces, this book begins with coverage of the concepts and methods for simpler systems, then moves on to more advanced subjects for complex systems  emphasizing concepts and methods used in calculations with realistic models and compared with empirical data.?

• Contains applications to many physical systems and worked examples
• Proceeds from introductory material to advanced modern treatments
• Has relevance for new materials, biological phenomena, and energy and fuels production

Preface xi

1 Fundamental Concepts 1

1.1 Molecular Interactions in Nature 2

1.2 Potential Energies for Molecular Interactions 4

1.2.1 The Concept of a Molecular Potential Energy 4

1.2.2 Theoretical Classification of Interaction Potentials 6

1.2.2.1 Small Distances 7

1.2.2.2 Intermediate Distances 8

1.2.2.3 Large Distances 8

1.2.2.4 Very Large Distances 8

1.3 Quantal Treatment and Examples of Molecular Interactions 9

1.4 Long-Range Interactions and Electrical Properties of Molecules 21

1.4.1 Electric Dipole of Molecules 21

1.4.2 Electric Polarizabilities of Molecules 22

1.4.3 Interaction Potentials from Multipoles 23

1.5 Thermodynamic Averages and Intermolecular Forces 24

1.5.1 Properties and Free Energies 24

1.5.2 Polarization in Condensed Matter 25

1.5.3 Pair Distributions and Potential of Mean-Force 26

1.6 Molecular Dynamics and Intermolecular Forces 27

1.6.1 Collisional Cross Sections 27

1.6.2 Spectroscol#-