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Negative ion properties of fluoranil, chloranil, and bromanil: Electron affinities

✍ Scribed by Cooper, C. D.; Frey, W. F.; Compton, R. N.


Book ID
119950985
Publisher
American Institute of Physics
Year
1978
Tongue
English
Weight
860 KB
Volume
69
Category
Article
ISSN
0021-9606

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The electron affinity of LiBO2 and the s
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The geometries and fundamental frequencies of the LiBOF anion and the LiB02 molecule were calculated ab initio at MP2/6-3 I+ G\*. Linear forms have the lowest energy in both cases. The calculated electron affinity (EA ) of LiBOz is nearly the same when usingKoopmans'theorem,aswel1astheAPWHFandAPMP2,