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Experimental and Theoretical Studies of the C 2 F 4 + O Reaction: Nonadiabatic Reaction Mechanism

✍ Scribed by Nguyen, Thanh Lam; Dils, Bart; Carl, Shaun Avondale; Vereecken, Luc; Peeters, Jozef

Book ID
127246416
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
260 KB
Volume
109
Category
Article
ISSN
1089-5639

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πŸ“œ SIMILAR VOLUMES

Loss of hydrogen fluoride from C2H2F3O+.
Loss of hydrogen fluoride from C2H2F3O+. A theoretical study of a reaction mechanism
✍ PΓ©ter VΓ‘rnai; LΓ‘szlΓ³ NyulΓ‘szi; TamΓ‘s VeszpreαΈΏi; KΓ‘roly VΓ©key πŸ“‚ Article πŸ“… 1995 πŸ› Elsevier Science 🌐 English βš– 581 KB

The hydrogen fluoride loss reaction channels from C,H,F,O+ have been studied by ab initio quantum chemical means at the MP2/6-31G \* //HF/6-31G \* + ZPE level of theory. The composite metastable peak observed in the mass spectrum has been explained by two reaction channels, having nearly equal activ