Theoretical investigations on the kinetics of Cl atom initiated reactions of series of 1-alkenes
Sign Up to like & getrecommendations! Published in 2017 at "Environmental Science and Pollution Research"
DOI: 10.1007/s11356-017-0638-2
Abstract: The temperature-dependent rate coefficients were calculated for the reactions of Cl atoms with propene (R1), 1-butene (R2), 1-pentene (R3), and 1-hexene (R4) over the temperature range of 200–400 K. Canonical variational transition state theory (CVT) with… read more here.
Keywords: cm3 molecule; rate coefficients; temperature; molecule cm3 ... See more keywords
Computational mechanistic investigation of the Fe + CO2→ FeO + CO reaction.
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DOI: 10.1039/d0cp00479k
Abstract: We report a computational study of the mechanism and determination of the rate constants of the Fe + CO2→ FeO + CO reaction, in the 1000-3000 K temperature range, at the CCSD(T)/CBS//B3LYP/def2-TZVP level of theory.… read more here.
Keywords: cm3 molecule; computational mechanistic; co2 feo; rate ... See more keywords
The reaction between HgBr and O3: kinetic study and atmospheric implications
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DOI: 10.1039/d2cp00754a
Abstract: The rate constants of many reactions currently considered to be important in the atmospheric chemistry of mercury remain to be measured in the laboratory. Here we report the first experimental determination of the rate constant… read more here.
Keywords: reaction; chemistry; rate; hgbr kinetic ... See more keywords