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Calculations of the Rate Constants for the Hydrogen Abstraction Reactions C<sub>2</sub>H<sub>3</sub>+CH<sub>4</sub>→C<sub>2</sub>H<sub>4</sub>+CH<sub>3</sub> and C<sub>2</sub>H<sub>3</sub>+C<sub>2</sub>H<sub>6</sub>→C<sub>2</sub>H<sub>4</sub>+C<sub>2</sub>H<sub>5</sub>
- Published in:
- ChemPhysChem, 2002, v. 3, n. 7, p. 625, doi. 10.1002/1439-7641(20020715)3:7<625::AID-CPHC625>3.0.CO;2-A
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DFT and Ab initio direct dynamics studies on the hydrogen abstraction reactions of chlorine atoms with CH<sub>4− n</sub>F<sub> n</sub> ( n = 1-3).
- Published in:
- Journal of Computational Chemistry, 2002, v. 23, n. 15, p. 1456, doi. 10.1002/jcc.10165
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- Article
Direct ab initio dynamics study on the rate constants and kinetic isotope effect for the reactions of H atoms with GeD<sub> n</sub>(CH<sub>3</sub>)<sub>4− n</sub> ( n = 1-4).
- Published in:
- Journal of Computational Chemistry, 2002, v. 23, n. 14, p. 1366, doi. 10.1002/jcc.10137
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- Article