State Key Laboratory of Fluorine and Nitrogen Chemistry and Advanced Materials, Shanghai Institute of Organic Chemistry, University of Chinese Academy of Sciences, Chinese Academy of Sciences, 345 ...

Figure 2. Hydrogen atom transfer from the gallate dianion to the hydroxyl radical at pH 9. Considering these results, the pH-dependent deprotonation of GA is likely to play a key role in selecting the ...

Department of Chemistry, Faculty of Science, Kasetsart University, Bangkok 10900, Thailand ...

The pathway continues with two additional 1,2-hydride shifts, ultimately culminating in deprotonation. This catalytic route disproved the previous hypothesis that suggested two 1,3-hydride shifts ...

2011, 2012). While MD simulations include many molecular details, they generally impose a fixed charge distribution and do not consider the possibility of dynamic chemical equilibria between ...