مرور Volume 18, Issue 4 (Fall 2020 and Winter 2021) 3 and 4 بر اساس تاریخ انتشار

در حال نمایش موارد 1 - 1 از 1

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

پدیدآور نامشخص (Tehran, Islamic Azad University of Iran, Science and Research Branch, 2021-05-01)

The aims this work to investigate the effects of (n=1, 2, 3) H+ ions functionalizing on the surface of B12N12 nanocage to detect and adsorb 5-Flucytosine (5-FC) drug using density functional theory at the WB97XD/6-31G(d, ...