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Possible pyrolysis reaction paths of cyclohexane were studied by UMP2 (FULL)/3-21G * , UB3LYP/3-21G * , UB3LYP/6-31G * and RB3LYP/6-31G * calculation. Pyrolysis mechanism of cyclohexane at high temperature ranges were studied by UB3LYP/6-31G * , data ΔE 0θ , ΔE θ , ΔH θ , ΔG θ and ΔE 0θ< >, ΔE ...
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