Anomeric effect in 1,3-dioxole: A theoretical study

Journal of the American Chemical Society

Volumn 118, Issue 41, 1996, Pages 9850-9854

  Suarez D ^a   Sordo, T L ^a   Sordo, J A ^a  

^a UNIVERSITY OF OVIEDO   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

1,3 DIOXOLANE;

ARTICLE; DRUG STRUCTURE; MOLECULAR DYNAMICS; THEORY;

EID: 0029956496     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja950735h     Document Type: Article

References (33)

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23. oco in Table 3.
24. Of course, since we want to simulate 1,3-dioxole with no fourelectron repulsions between p-type lone pair orbitals on oxygen atoms in Figure 4 and 1,3-dioxole with no interactions between π-type electrons of the double bond and lone pair orbitals on oxygen atoms in Figure 5 to compare with 1,3-dioxole in Figure 3, no geometry optimizations were carried out.
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