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Ab initio SCF calculations of the acidity of distorted ethanes and ethylenes

โœ Scribed by Streitwieser, Andrew; Owens, Peter H.; Wolf, Richard A.; Williams, James E.


Book ID
126330661
Publisher
American Chemical Society
Year
1974
Tongue
English
Weight
408 KB
Volume
96
Category
Article
ISSN
0002-7863

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AB initio SCF and CI calculations of lin
โœ Wolf Ekkehard Kammer ๐Ÿ“‚ Article ๐Ÿ“… 1970 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 429 KB

Ab initio SCF MO and CI calculations on acetylene in linear and bent conformations are reported. It is found that acetylene possesses stable truns-and c&-isomers for most of its low-lying electronicatly excited states.. The calculated transition energies are discussed in relation to the observed opt