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Viser: London Dispersion Forces in Molecules, Solids and Nano-Structures - An Introduction to Physical Models and Computational Methods

London Dispersion Forces in Molecules, Solids and Nano-structures, 1. udgave

London Dispersion Forces in Molecules, Solids and Nano-structures Vital Source e-bog

János Ángyán, John Dobson, Georg Jansen og Tim Gould
(2020)
NBN International
2.348,00 kr.
Leveres umiddelbart efter køb
London Dispersion Forces in Molecules, Solids and Nano-Structures - An Introduction to Physical Models and Computational Methods

London Dispersion Forces in Molecules, Solids and Nano-Structures

An Introduction to Physical Models and Computational Methods
John Dobson, Georg Jansen, Tim Gould, János Ángyán og Jonathan Hirst
(2020)
Sprog: Engelsk
Royal Society of Chemistry, The
2.420,00 kr.
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Detaljer Om Varen

  • 1. Udgave
  • Vital Source E-book
  • Udgiver: NBN International (April 2020)
  • Forfattere: János Ángyán, John Dobson, Georg Jansen og Tim Gould
  • ISBN: 9781839160189
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.
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Detaljer Om Varen

  • Hardback: 434 sider
  • Udgiver: Royal Society of Chemistry, The (April 2020)
  • Forfattere: John Dobson, Georg Jansen, Tim Gould, János Ángyán og Jonathan Hirst
  • ISBN: 9781782620457
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.
Introduction; Basic Concepts from Toy Models; Macroscopic Lifshitz Approach; Supermolecular Wavefunction Methods; Intermolecular Perturbation Theory; Adiabatic Connection, Fluctuation-Dissipation Approach: RPA and Related Correlation Energy Methods; Dispersion Energy From Groundstate Electron "Densities" ?( r), ??( r), t( r), etc. : Explicit Functionals; Dispersion Energies via Division Into Atoms or Larger Units; Some Chemical Effects of Dispersion Interactions; Periodic Solids; Low-dimensional Systems: Nanolayers, Nanotubes, Nanowires, etc. ; Interaction of Molecules with Surfaces and Layers; Summary of Recommended Methods; Many-electron Quantum Mechanics; Linear Response and the Fluctuation-Dissipation Theorem; Basics of Groundstate Density Functional Theory; Some Useful Mathematics; Partitioning Into Atoms; Polarisation Approximation: Higher-order and Many-body Contributions
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