Non-Covalent Interactions in Quantum Chemistry and Physics. Theory and Applications

Description

Non-covalent Interactions in Quantum Chemistry and Physics: Theory and Applications provides an entry point for newcomers and a standard reference for researchers publishing in the area of non-covalent interactions. Written by the leading experts in this field, the book enables experienced researchers to keep up with the most recent developments, emerging methods, and relevant applications. The book gives a comprehensive, in-depth overview of the available quantum-chemistry methods for intermolecular interactions and details the most relevant fields of application for those techniques. Theory and applications are put side-by-side, which allows the reader to gauge the strengths and weaknesses of different computational techniques. Content: Title Page,Copyright,Dedication,Contributors,ForewordEntitled to full textPart I: TheoryChapter 1 - Physical Basis of Intermolecular Interactions, Pages 3-26, Anthony J. Stone Chapter 2 - Energy Partition Analyses: Symmetry-Adapted Perturbation Theory and Other Techniques, Pages 27-64, E. Francisco, A. Martín Pendás Chapter 3 - Intermolecular Interaction Energies from Kohn–Sham Random Phase Approximation Correlation Methods, Pages 65-136, Andreas Heßelmann Chapter 4 - Wavefunction Theory Approaches to Noncovalent Interactions, Pages 137-168, C. David Sherrill Chapter 5 - The Exchange-Hole Dipole Moment Dispersion Model, Pages 169-194, Erin R. Johnson Chapter 6 - A Comprehensive Overview of the DFT-D3 London-Dispersion Correction, Pages 195-219, Lars Goerigk Chapter 7 - Atom-Centered Potentials for Noncovalent Interactions and Other Applications, Pages 221-240, Gino A. DiLabio Chapter 8 - The vdW-DF Family of Nonlocal Exchange-Correlation Functionals, Pages 241-274, Elsebeth Schröder, Valentino R. Cooper, Kristian Berland, Bengt I. Lundqvist, Per Hyldgaard, Timo Thonhauser Chapter 9 - Noncovalent Interactions in Organic Electronic Materials, Pages 277-302, Mahesh Kumar Ravva, Chad Risko, Jean-Luc Brédas Chapter 10 - Noncovalent Interactions in Molecular Crystals, Pages 303-331, Gregory J.O. Beran, Yonaton N. Heit, Joshua D. Hartman Chapter 11 - Molecular Crystal Structure Prediction, Pages 333-363, Sarah L. Price, Jan Gerit Brandenburg Chapter 12 - Noncovalent Interactions and Environment Effects, Pages 365-385, Benedetta Mennucci Chapter 13 - Surface Adsorption, Pages 387-416, Jeffrey R. Reimers, Musen Li, Dongya Wan, Tim Gould, Michael J. Ford Chapter 14 - Noncovalent Interactions in Nanotechnology, Pages 417-451, Valentino R. Cooper, Christopher N. Lam, Yangyang Wang, Bobby G. Sumpter Subject Index, Pages 453-459