Table 2 Energy barriers (\(\Delta {E^ \ne }\)) in Kcal mol− 1 for the transition States involved in the OH addition to different sites of BR 46.

From: Enhanced photocatalytic degradation of organic pollutants using a TiO2–clay nanocomposite in a rotary photoreactor with experimental and theoretical insights

Species

\(\Delta {E^ \ne }\)

Species

\(\Delta {E^ \ne }\)

TS1

-1.57

TS5

7.35

TS2

-2.53

TS6

4.05

TS3

-1.98

TS7

-8.37

TS4

2.05

  
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