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Decarbonylation of 7-norbornenones. Structural Factors Influencing Activation Energies of the Transition States in Cheletropic Reactions. An ab initio study (CROSBI ID 121301)
Prilog u časopisu | izvorni znanstveni rad | međunarodna recenzija
Margetić, Davor ; Warrener, Ronald, N.
Decarbonylation of 7-norbornenones. Structural Factors Influencing Activation Energies of the Transition States in Cheletropic Reactions. An ab initio study // Internet electronic journal of molecular design, 4 (2005), 12; 850-861
Podaci o odgovornosti
Margetić, Davor ; Warrener, Ronald, N.
engleski
Decarbonylation of 7-norbornenones. Structural Factors Influencing Activation Energies of the Transition States in Cheletropic Reactions. An ab initio study
Computational study of decarbonylation of 7-norbornenones was employed in order to rationalize experimental results. It was found that activation barriers of these cheletropic reactions depend on the structures of 7-norbornenones and products obtained after decarbonylation.
Cheletropic reaction ; ab initio ; DFt calculations ; norbornenes
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