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TG studies on the reactions of hematite, magnetite and wustite with CCl4

✍ Scribed by I. Bertóti; I.S. Pap; T. Székely; I.Z. Babievskaya; L. Bottyán

Publisher
Elsevier Science
Year
1985
Tongue
English
Weight
223 KB
Volume
85
Category
Article
ISSN
0040-6031

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## Abstract The radical‐molecule reaction mechanism of CHCl~2~ and CCl~3~ with NO~2~ have been explored theoretically at the B3LYP/6‐311G(d,p) and MC‐QCISD (single‐point) levels. For the singlet potential energy surface (PES) of CHCl~2~ + NO~2~ reaction, the association of CHCl~2~ with NO~2~ was fo