AB INITIO STUDY ON THE CONFORMATIONAL BE
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Safiye Sağ Erdem; Tereza Varnali; Viktorya Aviyente
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Article
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1997
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John Wiley and Sons
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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