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|a (TOE)ost6353067
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|a (TOE)6353067
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|a TOE
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|a GDWR
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|a 74
|2 edbsc
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|a E 1.99:lbl-12089
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|a E 1.99:lbl-12089
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|a Laser-induced chemical reactions. [H + H₂; F + H₂; H + HF; Cl + H₂; H + HCl; H + LiF]
|h [electronic resource]
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260 |
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|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.
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300 |
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|a Pages: 126 :
|b digital, PDF file.
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|a text
|b txt
|2 rdacontent.
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|a computer
|b c
|2 rdamedia.
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|a online resource
|b cr
|2 rdacarrier.
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|a Published through the Information Bridge: DOE Scientific and Technical Information.
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|a 12/01/1980.
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|a "lbl-12089"
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|a "DE81023032"
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|a Orel, A.E.
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|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.
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536 |
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|b W-7405-ENG-48.
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650 |
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7 |
|a Kinetics.
|2 local.
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650 |
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|a Infrared Radiation.
|2 local.
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7 |
|a Halogens.
|2 local.
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650 |
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|a Fluorine.
|2 local.
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|a Electromagnetic Radiation.
|2 local.
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|a Chemical Reaction Kinetics.
|2 local.
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|a Energy Transfer.
|2 local.
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|a Chlorine.
|2 local.
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|a Elements.
|2 local.
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|a Hydrogen.
|2 local.
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|a Halogen Compounds.
|2 local.
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650 |
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7 |
|a Halides.
|2 local.
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|
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|a One-dimensional Calculations.
|2 local.
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7 |
|a Molecule Collisions.
|2 local.
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|a Nonmetals.
|2 local.
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650 |
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|a Lithium Fluorides.
|2 local.
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650 |
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|a Collisions.
|2 local.
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650 |
|
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|a Inorganic Acids.
|2 local.
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650 |
|
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|a Fluorine Compounds.
|2 local.
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650 |
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|a Lithium Compounds.
|2 local.
|
650 |
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|a Hydrofluoric Acid.
|2 local.
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650 |
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7 |
|a Radiations.
|2 local.
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650 |
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7 |
|a Alkali Metal Compounds.
|2 local.
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650 |
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7 |
|a Molecules.
|2 local.
|
650 |
|
7 |
|a Atom Collisions.
|2 local.
|
650 |
|
7 |
|a Hydrochloric Acid.
|2 local.
|
650 |
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|a Reaction Kinetics.
|2 local.
|
650 |
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|a Laser Radiation.
|2 local.
|
650 |
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|a Fluorides.
|2 local.
|
650 |
|
7 |
|a Hydrogen Compounds.
|2 local.
|
650 |
|
7 |
|a Lithium Halides.
|2 local.
|
650 |
|
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|a Atom-molecule Collisions.
|2 local.
|
650 |
|
7 |
|a Atomic And Molecular Physics.
|2 edbsc.
|
710 |
2 |
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|a Lawrence Berkeley Laboratory.
|4 res.
|
710 |
2 |
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|a Lawrence Berkeley National Laboratory.
|4 res.
|
710 |
1 |
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|a United States.
|b Department of Energy.
|b Office of Scientific and Technical Information.
|4 dst.
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856 |
4 |
0 |
|u http://www.osti.gov/servlets/purl/6353067-61ENUq/
|z Online Access
|
907 |
|
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|a .b60121816
|b 03-06-23
|c 05-30-10
|
998 |
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|a web
|b 05-30-10
|c f
|d m
|e p
|f eng
|g cau
|h 0
|i 1
|
956 |
|
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|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
|