
@duyquang_dao @LatinXChem @TaamalliS @FlorentLouis59 @DinhHieu_Chem @dtc2lab @EnvSciRSC @ThiChinhNgo1 Hello, nice work. This kind of studies are of great value in photocatalysis. It would be worth to perform the calculations using water as explicit solvent and at 298 K.
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