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Rate constant for the reaction of OH with CH 3 CCl 2 F (HCFC-141b) determined by relative rate measurements with CH 4 and CH 3 CCl 3

✍ Scribed by Huder, Karin; DeMore, William B.

Book ID: 126871560
Publisher: American Geophysical Union
Year: 1993
Tongue: English
Weight: 167 KB
Volume: 20
Category: Article
ISSN: 1944-8007
DOI: 10.1029/93gl01766

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## Abstract The reaction mechanism of CF~3~CH~2~OH with OH is investigated theoretically and the rate constants are calculated by direct dynamics method. The potential energy surface (PES) information, which is necessary for dynamics calculation, is obtained at the B3LYP/6‐311G (d, p) level. The si