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Molecular orbital theory of the hydrogen bond. n → π* transitions in monosubstituted by pyridines and their complexes with H2O

✍ Scribed by Janet E. Del Bene


Publisher
Elsevier Science
Year
1980
Tongue
English
Weight
854 KB
Volume
50
Category
Article
ISSN
0301-0104

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Molecular orbital theory of the hydrogen
✍ Janet E. Del Bene 📂 Article 📅 1981 🏛 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

Molecular orbital theory of the hydrogen
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