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The C 4 H 4•+ Potential Energy Surface. 3. The Reaction of Acetylene with Its Radical Cation

✍ Scribed by Hrouda, Vojtěch; Roeselová, Martina; Bally, Thomas


Book ID
127277898
Publisher
American Chemical Society
Year
1997
Tongue
English
Weight
322 KB
Volume
101
Category
Article
ISSN
1089-5639

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## Abstract The potential energy surface for the reaction of the ground‐state carbon atom [C(^3^P~j~)] with the propargyl radical [HCCCH~2~(X^2^B~1~)] is investigated using the G2M(RCC,MP2) method. Numerous local minima and transition states for various isomerization and dissociation pathways of do