Table 4 Energy barriers (\(\Delta {E^ \ne }\)) in Kcal mol− 1 for the transition States involved in the reactions of the K compound.

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

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

TS29

3.70

TS42

14.82

TS30

19.32

TS43

16.71

TS31

25.63

TS44

23.11

TS32

-7.72

TS45

25.35

TS33

9.68

TS46

41.32

TS34

24.96

TS47

15.21

TS35

46.59

TS48

33.77

TS36

23.21

TS49

49.10

TS37

32.35

TS50

46.53

TS38

22.10

TS51

57.94

TS39

23.19

TS52

15.06

TS40

29.45

TS53

6.93

TS41

46.17