Natural Science Foundation of Shandong Province,China(Nos.ZR2016BL13 and ZR2015EQ021);National Natural Science Foundation of China(No.51505065);Foundation for Science and Technology of Shandong Provincial Universities,China(No.J16LC55)。
The parent and radical-modified chitin units are computationally studied and the parent chitin unit possesses closed-shell singlet(CS)state as its ground state.Two radicals(CH_(3)·and CH_(3)CH_(2)·)are chosen to mod...