Effect of Ni and Pd Transition Metal Functionalized on Interaction of Mercaptopyridine with B12N12 Nanocage: NBO, AIM, DFT, TD-DFT Study
1. Effect of Ni and Pd Transition Metal Functionalized on Interaction of Mercaptopyridine with B12N12 Nanocage: NBO, AIM, DFT, TD-DFT Study

M. Rezaei‒Sameti; M. Jafari

Volume 4, Issue 4 , July and August 2020, , Pages 494-513

http://dx.doi.org/10.33945/SAMI/CHEMM.2020.4.10

Abstract
  In this work, the effect of the functionalized Ni and Pd transition metals on interaction of the mercaptopyridine (MCP) with the boron nitride nanocage (B12N12) was investigated using ...  Read More