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A theoretical ab-initio MO investigation on the relative stability of exo/endo isomers of substituted cycloalkanes–cycloalkenes

✍ Scribed by Chiara Ferrari; Erich Kleinpeter; Ferdinando Taddei


Book ID
114141531
Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
251 KB
Volume
548
Category
Article
ISSN
0166-1280

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Ab initio calcdations at the MP2/6-31G\*//HF/3-21G\* level have been carried out to study Eels-Alder reactions of 2-substituted-1,3-dienes with s u l h dioxide. The CH ... 0 electrostatic interaction detected in some of the transition structures located could be decisive in the control of the exo/en