A theoretical study of the gas-phase chemi-ionization reaction between uranium and oxygen atoms

A theoretical study of the gas-phase chemi-ionization reaction between uranium and oxygen atoms

The U+O chemi-ionization reaction has been investigated by quantum chemical methods. Potential-energy curves have been calculated for several electronic states of UO and UO+. Comparison with the available spectroscopic and thermodynamic values for these species is reported and a mechanism for the ch...

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Bibliographic Details
Main Authors: Paulovič, Jozef (Author), Gagliardi, Laura (Author), Dyke, John M. (Author), Hirao, Kimihiko (Author)
Format: Article
Language:English
Published: 2005-04-08.
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Article
Online Access:Get fulltext
LEADER 00982 am a22001573u 4500
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042 |a dc 
100 1 0 |a Paulovič, Jozef  |e author 
700 1 0 |a Gagliardi, Laura  |e author 
700 1 0 |a Dyke, John M.  |e author 
700 1 0 |a Hirao, Kimihiko  |e author 
245 0 0 |a A theoretical study of the gas-phase chemi-ionization reaction between uranium and oxygen atoms 
260 |c 2005-04-08. 
856 |z Get fulltext  |u https://eprints.soton.ac.uk/20881/1/20881.pdf 
520 |a The U+O chemi-ionization reaction has been investigated by quantum chemical methods. Potential-energy curves have been calculated for several electronic states of UO and UO+. Comparison with the available spectroscopic and thermodynamic values for these species is reported and a mechanism for the chemi-ionization reaction U+O -> UO++e(-) is proposed. The U+O and Sm+O chemi-ionization reactions are the first two metal-plus-oxidant chemi-ionization reactions to be studied theoretically in this way. 
655 7 |a Article 

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