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On the structural differences of conformers (a study of 1,2-disubstituted ethanes and ethenes)

✍ Scribed by Peter Scharfenberg; István Hargittai


Book ID
103210590
Publisher
Elsevier Science
Year
1984
Tongue
English
Weight
422 KB
Volume
112
Category
Article
ISSN
0022-2860

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AB INITIO STUDY ON THE CONFORMATIONAL BE
✍ Safiye Sağ Erdem; Tereza Varnali; Viktorya Aviyente 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 108 KB 👁 2 views

Ab initio optimizations at the HF/6-31G level and single-point calculations at the MP2/6-31G\*\*//6-31G level were performed on ethane-1,1-diol and ethane-1,1,2-triol. Their conformational properties are discussed in terms of the anomeric effect, gauche effect and internal O-H interactions. The resu