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035 |a (TOE)ost6353067 
035 |a (TOE)6353067 
040 |a TOE  |c TOE 
049 |a GDWR 
072 7 |a 74  |2 edbsc 
086 0 |a E 1.99:lbl-12089 
086 0 |a E 1.99:lbl-12089 
245 0 0 |a Laser-induced chemical reactions. [H + H₂; F + H₂; H + HF; Cl + H₂; H + HCl; H + LiF]  |h [electronic resource] 
260 |a Berkeley, Calif. :  |b Lawrence Berkeley National Laboratory ;  |a Oak Ridge, Tenn. :  |b distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy,  |c 1980. 
300 |a Pages: 126 :  |b digital, PDF file. 
336 |a text  |b txt  |2 rdacontent. 
337 |a computer  |b c  |2 rdamedia. 
338 |a online resource  |b cr  |2 rdacarrier. 
500 |a Published through the Information Bridge: DOE Scientific and Technical Information. 
500 |a 12/01/1980. 
500 |a "lbl-12089" 
500 |a "DE81023032" 
500 |a Orel, A.E. 
520 3 |a A classical model for the interaction of laser radiation with a molecular system is derived. This model is used to study the enhancement of a chemical reaction via a collision induced absorption. It was found that an infrared laser will in general enhance the rate of a chemical reaction, even if the reactants are infrared inactive. Results for an illustrative analytically solvable model are presented, as well as results from classical trajectory studies on a number of systems. The collision induced absorption spectrum in these systems can be written as the Fourier transform of a particular dipole correlation function. This is used to obtain the collision induced absorption spectrum for a state-selected, mono-energetic reactive collision system. Examples treated are a one-dimensional barrier problem, reactive and nonreactive collisions of H + H₂, and a modified H + H₂ potential energy surface which leads to a collision intermediate. An extension of the classical model to treat laser-induced electronically nonadiabatic collision processes is constructed. The model treats all degrees of freedom, molecular, electronic and radiation, in a dynamically consistent framework within classical mechanics. Application is made to several systems. Several interesting phenomena are discovered including a Franck-Condon-like effect causing maxima in the reaction probability at energies much below the classical threshold, laser de-enhancement of chemical reactions and an isotope effect. In order to assess the validity of the classical model for electronically nonadiabatic process (without a laser field), a model problem involving energy transfer in a collinear atom-diatom system is studied, and the results compared to the available quantum mechanical calculation. The calculations are in qualitative agreement. 
536 |b W-7405-ENG-48. 
650 7 |a Kinetics.  |2 local. 
650 7 |a Infrared Radiation.  |2 local. 
650 7 |a Halogens.  |2 local. 
650 7 |a Fluorine.  |2 local. 
650 7 |a Electromagnetic Radiation.  |2 local. 
650 7 |a Chemical Reaction Kinetics.  |2 local. 
650 7 |a Energy Transfer.  |2 local. 
650 7 |a Chlorine.  |2 local. 
650 7 |a Elements.  |2 local. 
650 7 |a Hydrogen.  |2 local. 
650 7 |a Halogen Compounds.  |2 local. 
650 7 |a Halides.  |2 local. 
650 7 |a One-dimensional Calculations.  |2 local. 
650 7 |a Molecule Collisions.  |2 local. 
650 7 |a Nonmetals.  |2 local. 
650 7 |a Lithium Fluorides.  |2 local. 
650 7 |a Collisions.  |2 local. 
650 7 |a Inorganic Acids.  |2 local. 
650 7 |a Fluorine Compounds.  |2 local. 
650 7 |a Lithium Compounds.  |2 local. 
650 7 |a Hydrofluoric Acid.  |2 local. 
650 7 |a Radiations.  |2 local. 
650 7 |a Alkali Metal Compounds.  |2 local. 
650 7 |a Molecules.  |2 local. 
650 7 |a Atom Collisions.  |2 local. 
650 7 |a Hydrochloric Acid.  |2 local. 
650 7 |a Reaction Kinetics.  |2 local. 
650 7 |a Laser Radiation.  |2 local. 
650 7 |a Fluorides.  |2 local. 
650 7 |a Hydrogen Compounds.  |2 local. 
650 7 |a Lithium Halides.  |2 local. 
650 7 |a Atom-molecule Collisions.  |2 local. 
650 7 |a Atomic And Molecular Physics.  |2 edbsc. 
710 2 |a Lawrence Berkeley Laboratory.  |4 res. 
710 2 |a Lawrence Berkeley National Laboratory.  |4 res. 
710 1 |a United States.  |b Department of Energy.  |b Office of Scientific and Technical Information.  |4 dst. 
856 4 0 |u http://www.osti.gov/servlets/purl/6353067-61ENUq/  |z Online Access 
907 |a .b60121816  |b 03-06-23  |c 05-30-10 
998 |a web  |b 05-30-10  |c f  |d m   |e p  |f eng  |g cau  |h 0  |i 1 
956 |a Information bridge 
999 f f |i d62a066b-abec-524c-96c8-fb891a2f8801  |s 4644b094-18ae-5d4c-b27f-31b3128c2695 
952 f f |p Can circulate  |a University of Colorado Boulder  |b Online  |c Online  |d Online  |e E 1.99:lbl-12089  |h Superintendent of Documents classification  |i web  |n 1