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Chemistry of the singlet and triplet C2 molecules. Mechanism of acetylene formation from reaction with acetone and acetaldehyde

✍ Scribed by Skell, Philip S.; Plonka, James H.


Book ID
111669947
Publisher
American Chemical Society
Year
1970
Tongue
English
Weight
575 KB
Volume
92
Category
Article
ISSN
0002-7863

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Ab initio study of the formation of C3H3
✍ LοΏ½pez, RamοΏ½n; Sordo, JosοΏ½ A.; Sordo, TomοΏ½s L.; von RaguοΏ½ Schleyer, Paul πŸ“‚ Article πŸ“… 1996 πŸ› John Wiley and Sons 🌐 English βš– 366 KB πŸ‘ 2 views

Ab initio molecular orbital theory has been used to study the mechanism of the formation of C,H, ' from the reaction of CH,+ with acetylene. The highest level geometry optimizations and frequencies were computed at MP2-FC/6-31G\* \* ; single point energies of all the critical structures were compute