Description: Nonlinear Hamiltonian Mechanics Applied to Molecular Dynamics Please note: this item is printed on demand and will take extra time before it can be dispatched to you (up to 20 working days). Theory and Computational Methods for Understanding Molecular Spectroscopy and Chemical Reactions Author(s): Stavros C. Farantos Format: Paperback Publisher: Springer International Publishing AG, Switzerland Imprint: Springer International Publishing AG ISBN-13: 9783319099873, 978-3319099873 Synopsis This brief presents numerical methods for describing and calculating invariant phase space structures, as well as solving the classical and quantum equations of motion for polyatomic molecules. Examples covered include simple model systems to realistic cases of molecules spectroscopically studied. Vibrationally excited and reacting molecules are nonlinear dynamical systems, and thus, nonlinear mechanics is the proper theory to elucidate molecular dynamics by investigating invariant structures in phase space. Intramolecular energy transfer, and the breaking and forming of a chemical bond have now found a rigorous explanation by studying phase space structures.
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Book Title: Nonlinear Hamiltonian Mechanics Applied to Molecular Dynamics
Number of Pages: 158 Pages
Publication Name: Nonlinear Hamiltonian Mechanics Applied to Molecular Dynamics: Theory and Computational Methods for Understanding Molecular Spectroscopy and Chemical Reactions
Language: English
Publisher: Springer International Publishing A&G
Item Height: 235 mm
Subject: Chemistry
Publication Year: 2014
Type: Textbook
Item Weight: 3014 g
Author: Stavros C. Farantos
Item Width: 155 mm
Series: Springerbriefs in Electrical and Magnetic Properties of Atoms, Molecules, and Clusters
Format: Paperback
