London Dispersion Forces in Molecules, Solids and Nano-Structures

An Introduction to Physical Models and Computational Methods
Erscheinungsjahr 2020
ISBN: 978-1-78262-045-7
Verlag: RSC Publishing

Buch, Englisch, 458 Seiten, Format (B × H): 155 mm x 234 mm, Gewicht: 839 g

London dispersion interactions are responsible for numerous phenomena in physics, chemistry and biology. Recent years have seen the development of new, physically well-founded models, and dispersion-corrected density functional theory (DFT) is now a hot topic of research. This book is an overview of current understanding of the physical origin and modelling of London dispersion forces manifested at an atomic level. It covers a wide range of system, from small intermolecular complexes, to organic molecules and crystalline solids, through to biological macromolecules and nanostructures. In presenting a broad overview of the of the physical foundations of dispersion forces, the book provides theoretical, physical and synthetic chemists, as well as solid-state physicists, with a systematic understanding of the origins and consequences of these ubiquitous interactions. The presentation is designed to be accessible to anyone with intermediate undergraduate mathematics, physics and chemistry.

Autoren/Hrsg.

Ángyán, János

Dobson, John

Jansen, Georg

Gould, Tim

Fachgebiete

• Naturwissenschaften Physik Quantenphysik
• Naturwissenschaften Chemie Physikalische Chemie Quantenchemie, Theoretische Chemie

Inhaltsverzeichnis

Introduction: General and Historical Aspects; Simple Models of London Dispersion Forces; Perturbation Theory Treatment; Quantum Chemical Methods; DFT; ACFDT: RPA and Related Methods; Semi-Empirical Models; Molecular Complexes; Macromolecules and Nanostructures; Chemical Effects of Dispersion Interactions; Solids and Surfaces; Towards Macroscopic Objects

Über Autor(innen)

Ángyán, János
János Ángyán is Director of Research at CNRS, France. His main research interest is the electronic structure of solids and intermolecular interactions.

Jansen, Georg
Georg Jansen is Professor for Theoretical Organic Chemistry at the University Duisburg-Essen, Germany. His research focusses on the calculation and interpretation of intermolecular interactions.

Dobson, John
John Dobson is a Professor at Griffith University, Australia. His research expertise lie in theoretical condensed matter physics, chemical physics and nanoscience.

János Ángyán (1956–2017) was a Director of Research with the CNRS, France, based at the University of Lorraine. His main research interests were intermolecular interactions and the electronic structure of solids.

John Dobson is an Emeritus Professor at Griffith University, Australia. His research interests are in theoretical condensed matter physics, chemical physics and nanoscience.

Georg Jansen is Professor for Theoretical Organic Chemistry at the University of Duisburg-Essen, Germany. His research focusses on the calculation and interpretation of intermolecular interactions.

Tim Gould is a Senior Lecturer in Applied Mathematics at Griffith University, Australia. His research interests include quantum chemistry method development, chemical physics and electronic structure theory of molecules and solids.