Investigation of the molecular structure electronic properties AIM NBO NMR and NQR parameters for the interaction of Sc Ga and Mg-doped (6 0) aluminum nitride nanotubes with COCl2 gas by DFT study

Authors_
JournalJOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY
Page number99-114
Serial number1
Volume number84
IF1.316
Paper TypeFull Paper
Published At2016
Journal GradeISI
Journal TypeTypographic
Journal CountryIran, Islamic Republic Of
Journal IndexJCR،Scopus

Abstract