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Ab initio calculation of cis-trans isomerization in glyoxal

✍ Scribed by Tae-Kyu Ha


Publisher
Elsevier Science
Year
1972
Tongue
English
Weight
463 KB
Volume
12
Category
Article
ISSN
0022-2860

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AB initio SCF and CI calculations of lin
✍ Wolf Ekkehard Kammer πŸ“‚ Article πŸ“… 1970 πŸ› Elsevier Science 🌐 English βš– 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