The drug delivery appraisal of Cu and Ni decorated B12N12 nanocage for an 8-hydroxyquinoline drug: A DFT and TD-DFT computational study
The drug delivery appraisal of Cu and Ni decorated B12N12 nanocage for an 8-hydroxyquinoline drug: A DFT and TD-DFT computational study

Hourinaz Darougari; Mahdi Rezaei-Sameti

Volume 5, Issue 3 , September 2022, , Pages 196-210

https://doi.org/10.26655/AJNANOMAT.2022.3.3

Abstract
  In the current work, the density functional theory (DFT) and time-dependent density functional theory (TD-DFT) at ωB97XD/Lanl2DZ level of theory was accomplished to study the ...  Read More