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ChemInform Abstract: Direct Displacement of Chlorine Atoms by Alkoxides on Chlorinated Anthraquinones.

โœ Scribed by Galina V. Malinovskaya; Victor Ph. Anufriev


Publisher
John Wiley and Sons
Year
2010
Weight
29 KB
Volume
30
Category
Article
ISSN
0931-7597

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## Abstract A direct dynamics study is carried out for the hydrogen abstraction reactions Cl + CH~4โˆ’__n__~F~__n__~ (__n__ = 1โ€“3) in the temperature range of 200โ€“1000 K. The minimum energy paths (MEPs) of these reactions are calculated at the BH&Hโ€LYP/6โ€311G(d,p) level, and the energies along the ME