Quantum dynamics and kinetics of the abstraction reactions by H atoms of primary and secondary hydrogens in C3H8
The abstraction reaction of H atoms with propane molecules presents two concurrent channels. In this work we have determined the specific rate constants and the product branching ratios (BRs) between the two channels using quantum chemistry calculations and reduced dimensionality quantum dynamics. T...
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| Natura: | Journal article |
| Lingua: | English |
| Pubblicazione: |
2005
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