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An ab initio investigation of some excited electronic states of the SiH2+ ion

โœ Scribed by Jian-Ping Gua; Ming-Bao Huang; Fanao Kong; Song-Hao Liu


Book ID
113257721
Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
521 KB
Volume
253
Category
Article
ISSN
0166-1280

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The molecular geometries in the ground and lowest singlet -U and U ## ลฝ . n-excited states of three tautomers of isocytosine keto-N H, keto-N H, and enol and 3 1 their complexes with a water molecule were optimized at the ab initio level of theory ลฝ . applying the 6-311qqG d, p basis set. Excited-