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Phase sequence of tetraethylammonium hexachlorostannate between 200 K and 400 K

✍ Scribed by Ketata, H.; Ben Ghozlen, M. H.; Mlik, Y.


Book ID
126868213
Publisher
Taylor and Francis Group
Year
1991
Tongue
English
Weight
187 KB
Volume
33
Category
Article
ISSN
0141-1594

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Computational study on OH radical reacti
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## Abstract The rate coefficients of the CHF~2~CHFCHF~2~ (HFC‐245ea) + OH reaction were computed using G3B3 theory in the temperature range 200 and 400 K. Geometries were optimized for all reactants, transition states, and products at the B3LYP level of theory using 6‐31G\* and 6‐311++G\*\* basis s