THE AB INITIO STUDY OF UO AND UO$_{2}$ MOLECULES IN THE GAS PHASE

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Title: THE AB INITIO STUDY OF UO AND UO$_{2}$ MOLECULES IN THE GAS PHASE
Creators: Tyagi, Rajni; Pitzer, Russell M.
Issue Date: 2005
Publisher: Ohio State University
Abstract: \maketitle \textit{Ab initio} calculations are performed on UO and UO$_{2}$ molecules. Ionization potential and electronic structure for the high and low lying states are calculated using the spin-orbit configuration interaction technique. Finally, these calculated results are compared with experimental results and with results that have been obtained by utilizing other theoretical methods.
Description: Author Institution: Department of Chemistry, The Ohio State University, 100 W.18th; Avenue, Columbus, OH, 43210
URI: http://hdl.handle.net/1811/30288
Other Identifiers: 2005-FD-08
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