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AH⋯π hydrogen bonding to acetylene and benzene: The role of intramolecular coupling

✍ Scribed by Patcharawee Jantimapornkij; Piebprom Jundee; Nattakarn Uttamapinant; Somsak Pianwanit; Alfred Karpfen


Book ID
119221139
Publisher
Elsevier
Year
2012
Tongue
English
Weight
668 KB
Volume
999
Category
Article
ISSN
2210-271X

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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