A new insight of structures, bonding and electronic properties for 6-mercaptopurine adsorbed on M@Au12 (M=Au, Ag, Pd and Pt) Nanoclusters: a theoretical perspective
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The metal complexes M@Au12-6MP (M = Au, Ag, Pd and Pt) have been investigated theoretically using B3LYP//6-311++G (d, p) and M06-L//def2-TZVP methods. The electronic and energy properties were analyzed. The results show that either in the gas phase or aqueous ... ...
