[Bond selective chemistry beyond the adiabatic approximation]
Description:
The adiabatic Born-Oppenheimer potential energy surface approximation is not valid for reaction of a wide variety of energetic materials and organic fuels; coupling between electronic states of reacting species plays a key role in determining the selectivity of the chemical reactions induced. This research program initially studies this coupling in (1) selective C-Br bond fission in 1,3- bromoiodopropane, (2) C-S:S-H bond fission branching in CH[sub 3]SH, and (3) competition between bond fissio…
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Date:
February 28, 1993
Creator:
Butler, Laurie J.
Partner:
UNT Libraries Government Documents Department