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Can I read Theoretical study of the kinetics for the hydrogen abstraction of 1,1,1,2-tetrafluoroethane (HFC-134a) by hydroxyl radical on EtoBox?
Theoretical study of the kinetics for the hydrogen abstraction of 1,1,1,2-tetrafluoroethane (HFC-134a) by hydroxyl radical by Linlin Zhang; Shujin Li is a Chemistry article available to read on EtoBox.
What is Theoretical study of the kinetics for the hydrogen abstraction of 1,1,1,2-tetrafluoroethane (HFC-134a) by hydroxyl radical about?
The hydrogen abstraction reaction of 1,1,1,2-tetrafluoroethane (HFC-134a) with hydroxyl radical is studied by theoretical calculations. Equilibrium molecular geometries and harmonic vibrational frequencies of the reactants, transition state, and products are calculated using high-level ab initio methods. Rate constants for the temperatures from 210 to 1000 K are calculated using classical transition state theory with Eckart tunneling corrections, fitted in an expression k(T) = 6.14 Â 10 À27 Â T 4.70 e (153/T) cm 3 molecule À1 s -1 , and are in reasonable agreement with the available experimental values.
Who reads Theoretical study of the kinetics for the hydrogen abstraction of 1,1,1,2-tetrafluoroethane (HFC-134a) by hydroxyl radical?
It is typically read by researchers, students, and practitioners in Chemistry.
- Author
- Linlin Zhang; Shujin Li
- Publisher
- Elsevier Science; Elsevier ; Elsevier BV (ISSN 0166-1280)
- Published
- 2008
- Language
- EN
- Field
- Chemistry (Physical Sciences)