Molecular orbital theory of the hydrogen
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Janet E. Del Bene
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Article
📅
1981
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John Wiley and Sons
🌐
English
⚖ 602 KB
Hydrogen bonding of uracil with water in excited nx\* states has been investigated by means of ab initio SCF-CI calculations on uracil and water-uracil complexes. Two low-energy excited states arise from n -T\* transitions in uracil. The first is due to excitation of the C4-O group, while the second