@article{ author = {Rezaei Sameti, Mahdi, Dosti Tapgombadi, Samira}, title = {The interaction of 5-Flucytosine drug with pristine and (n=1,2,3)H+ ions functionalized B12N12 nanocage: A DFT, TD-DFT, NLO and AIM study}, journal = {Journal of Physical & Theoretical Chemistry}, year = {2021}, volume = {17}, number = {2020}, pages = {108-122}, doi = {10.30495/jptc.2021.20866} }