RSC Advances
RSC Advances
5 years ago

Reactions of hydroxyl radicals with benzoic acid and benzoate

Reactions of hydroxyl radicals with benzoic acid and benzoate
Ian Donald Gates, Alex De Visscher, Chongchong Wu
Density functional theory was used to study the mechanism and kinetics of benzoic acid with hydroxyl radicals in both gas and aqueous phases as well as benzoate with hydroxyl radicals in the aqueous phase at the M06-2X/6-311+G(d,p) level of theory.

Publisher URL: http://feeds.rsc.org/~r/rss/ra/~3/d4lGu83ZUSE/C7RA05488B

DOI: 2017/RA/C7RA05488B

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