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CLOPPA Analysis of the Molecular Polarizability and the Energy of Strong Intramolecular Hydrogen Bonds: Resonance Assisted?

✍ Scribed by Giribet, Claudia G.; Ruiz de Azúa, Martín C.


Book ID
118050248
Publisher
American Chemical Society
Year
2012
Tongue
English
Weight
952 KB
Volume
116
Category
Article
ISSN
1089-5639

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📜 SIMILAR VOLUMES


Molecular orbital theory of the hydrogen
✍ Janet E. Del Bene 📂 Article 📅 1976 🏛 Elsevier Science 🌐 English ⚖ 332 KB

Ab initio 3CF and SCP Cl caJcuJatjons ~4th Zhe STO-3C basis set have been pcrformcd in this study of the effect of jntramolccubr hydrogen bonding on n orbital cncrgjcs and n -r I?\* transition encrgiw in ,&hydroxyacrofcin. In the hydrogen bonded C, form, the n orbital is stabWed and the n -+ s\* tnn