The AIM, RDG, NBO, Quantum and Structural Study of Adsorption of Phosgene Gas on the Surface of Pristine and Al, P Doped Ga12N12 Nano Cluster: A DFT Method
1. The AIM, RDG, NBO, Quantum and Structural Study of Adsorption of Phosgene Gas on the Surface of Pristine and Al, P Doped Ga12N12 Nano Cluster: A DFT Method

P. Hosseini; Mahdi Rezaei Sameti

Volume 3, Issue 5 , September and October 2019, , Pages 543-561

http://dx.doi.org/10.33945/SAMI/CHEMM.2019.5.4

Abstract
  The main objective of this work is to study the sensivity of pristine, Al, P and Al & P doped Ga12N12 to adsorb phosgene (COCl2) molecule. The interaction of COCl2 from O, C and ...  Read More