{"product_id":"quantum-molecular-dynamics-isbn-9780470383735","title":"Quantum Molecular Dynamics","description":"\u003cp\u003e\u003cb\u003ePresents theoretical, computational, and applications of collision-induced phenomena with emphasis on the treatment of physical and chemical kinetics using quantum molecular dynamics\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003eQuantum Molecular Dynamics provides a state-of-the-art overview of molecular collisions and kinetics rates in energy-transfer and reactivity phenomena in gases. Grounded in the quantal theory of scattering and its semiclassical limits, this comprehensive volume covers key concepts and theory, computational approaches, and various applications for specific physical systems.\u003c\/p\u003e \u003cp\u003eDetailed chapters describe elastic, inelastic and reactive collisions, that lead to energy transfer and electronic transitions, atomic rearrangements, and more. Starting from the electronic structure and atomic conformation of molecules, the text proceeds from introductory material to advanced modern treatments relevant to technologies for new materials, the environment, biological phenomena, and energy and fuels production.\u003c\/p\u003e \u003cul\u003e \u003cli\u003eProvides a thorough introduction with realistic intermolecular forces\u003c\/li\u003e \u003cli\u003eCovers cross sections and thermal rates of molecular collisions and comparisons with experimental results\u003c\/li\u003e \u003cli\u003eExamines energy transfer and reactivity phenomena mediated by molecular collisions\u003c\/li\u003e \u003cli\u003eDiscusses many-atom scattering theory as an introduction to more advanced descriptions\u003c\/li\u003e \u003cli\u003ePresents the computational aspects required to calculate and compare cross-sections with experimental data\u003c\/li\u003e \u003cli\u003eIncludes worked examples and applications to different physical systems\u003c\/li\u003e \u003c\/ul\u003e \u003cp\u003eQuantum Molecular Dynamics is an important resource for researchers and advanced undergraduate and graduate students in physical, theoretical, and computational chemistry, chemical physics, materials science, as well as chemists, engineers, and biologists working in the energy and pharmaceutical industries and the environment. From the author of Molecular Interactions: Concepts and Methods (Wiley, 2020), this new book builds on and extends the foundational concepts introduced in that earlier work.\u003c\/p\u003e \u003cp\u003ePreface\u003c\/p\u003e \u003cp\u003e1 Collisional Phenomena, Cross Sections and Rates 1\u003c\/p\u003e \u003cp\u003e1.1 Electronic and Nuclear Motions in Collisional Phenomena 2\u003c\/p\u003e \u003cp\u003e1.2 Collisional Cross Sections……5\u003c\/p\u003e \u003cp\u003e1.3 Quantal Description of Collisions 9\u003c\/p\u003e \u003cp\u003e1.4 Examples of Physical Systems and Phenomena.  11\u003c\/p\u003e \u003cp\u003e1.5 Transport, energy relaxation and reaction rates in gases 19\u003c\/p\u003e \u003cp\u003e1.6 Concepts and methods in the quantal modelling  20\u003c\/p\u003e \u003cp\u003eReferences 21\u003c\/p\u003e \u003cp\u003eFIGURES 25\u003c\/p\u003e \u003cp\u003eINDEX 39\u003c\/p\u003e \u003cp\u003e2 Elastic Collisions 1\u003c\/p\u003e \u003cp\u003e2.1 Elastic Collision Cross Sections   1\u003c\/p\u003e \u003cp\u003e2.2 Integral equation and approximations 7\u003c\/p\u003e \u003cp\u003e2.3 Partial-wave analysis 14\u003c\/p\u003e \u003cp\u003e2.4 Numerical methods for scattering 22\u003c\/p\u003e \u003cp\u003e2.5 Examples 30\u003c\/p\u003e \u003cp\u003eReferences 32\u003c\/p\u003e \u003cp\u003eFIGURES 35\u003c\/p\u003e \u003cp\u003eINDEX 44\u003c\/p\u003e \u003cp\u003e3 Inelastic Collisions: Dynamics 2\u003c\/p\u003e \u003cp\u003e3.1 Inelastic collision Cross Sections 2\u003c\/p\u003e \u003cp\u003e3.2 Coupled-Channel Equations 13\u003c\/p\u003e \u003cp\u003e3.3 Matrix form of partial-wave equations 16\u003c\/p\u003e \u003cp\u003e3.4 Collisions Involving Two Coupled Channels 20\u003c\/p\u003e \u003cp\u003e3.5 Distorted-Waves Treatment 23\u003c\/p\u003e \u003cp\u003e3.6 Optical potential models 26\u003c\/p\u003e \u003cp\u003eBibliography 29\u003c\/p\u003e \u003cp\u003eFIGURES 31\u003c\/p\u003e \u003cp\u003eFigure 3.1 31\u003c\/p\u003e \u003cp\u003eINDEX 33\u003c\/p\u003e \u003cp\u003e4 Inelastic Collisions: Adiabatic Energy Transfer      2\u003c\/p\u003e \u003cp\u003e4.1 Adiabatic energy transfer cross sections  2\u003c\/p\u003e \u003cp\u003e4.2 Numerical Methods 10\u003c\/p\u003e \u003cp\u003e4.3 Electronically Adiabatic Rotational Transitions 17\u003c\/p\u003e \u003cp\u003eframe 21\u003c\/p\u003e \u003cp\u003e4.4 T-R transfer calculations and comparisons with experimental values 24\u003c\/p\u003e \u003cp\u003e4.5 Translational-Rotational-Vibrational (T-R-V) transfer    29\u003c\/p\u003e \u003cp\u003eReferences 36\u003c\/p\u003e \u003cp\u003eFIGURES 39\u003c\/p\u003e \u003cp\u003eFigure 4.1 39\u003c\/p\u003e \u003cp\u003eFigure 4.2 40\u003c\/p\u003e \u003cp\u003eFigure 4.3 42\u003c\/p\u003e \u003cp\u003eFigure 4.4 43\u003c\/p\u003e \u003cp\u003eFigure 4.5 44\u003c\/p\u003e \u003cp\u003eFigure 4.6 45\u003c\/p\u003e \u003cp\u003eFigure 4.7 46\u003c\/p\u003e \u003cp\u003eINDEX 47\u003c\/p\u003e  \u003cp\u003e\u003cb\u003eDavid A. Micha\u003c\/b\u003e is a Professor of Chemistry and Physics at the University of Florida. His many research interests include intermolecular forces, collisional energy transfer, electron transfer, photoinduced dynamics, reactions in gas phase collisions, energy and electron transfer, and photodynamics at solid surfaces. Dr. Micha has also been co-organizer of the \"Sanibel Symposium on Theory and Computation for the Molecular and Materials Sciences\" at the University of Florida since 1985. He is a co-editor of several science books, and author of numerous science publications. He has been the organizer of several Pan-American Workshops on Molecular and Materials Sciences.\u003c\/p\u003e","brand":"Wiley","offers":[{"title":"Default Title","offer_id":47989898772709,"sku":"NP9780470383735","price":195.0,"currency_code":"USD","in_stock":false}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/1842\/7735\/files\/9780470383735.jpg?v=1761785839","url":"https:\/\/k12savings.com\/es\/products\/quantum-molecular-dynamics-isbn-9780470383735","provider":"K12savings","version":"1.0","type":"link"}