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Volumn 42, Issue 35, 2003, Pages 4188-4194

Rebuttal to the Bickelhaupt-Baerends case for steric repulsion causing the staggered conformation of ethane

Author keywords

Conformation analysis; Ethane; Hyperconjugation; NBO methods; Steric hindrance

Indexed keywords

CONFORMATIONS; ELECTRON ENERGY LEVELS;

EID: 0141522603     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200351777     Document Type: Article
Times cited : (169)

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    • As illustrative examples, see "The Anomeric Effect and Associated Stereoelectronic Effects": P. Petillo, L. Lerner, ACS Symp. Ser. 1993, 539; "Hyperconjugation": C.J. Cramer in Encyclopedia of Computational Chemistry, Vol. 2 (Eds.: P. von R. Schleyer, N. L. Allinger, T. Clark, J. Gasteiger, P. A. Kollman, H. F. Schaefer III, P. R. Schreiner), Wiley, Chichester, 1998, pp. 1294-1298; L. E. Bretscher, C. L. Jenkins, K. M. Taylor, M. L. DeRider, R. T. Raines, J. Am. Chem. Soc. 2001, 123, 777.
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