Tahmina Ferdous

DFT and QTAIM investigations of the adsorption of chlormethine anticancer drug on the exterior surface of pristine and transition metal functionalized boron nitride fullerene

Md. Rakib Hossain, Md. Mehade Hasan, Maliha Nishat et al. · Journal of Molecular Liquids · 2020 · 140 citations

Materials Science, Inorganic Chemistry, Exterior Surface +12

First-principles study of the adsorption of chlormethine anticancer drug on C24, B12N12 and B12C6N6 nanocages

Md. Rakib Hossain, Md. Mehade Hasan, Siraj Ud Daula Shamim et al. · Computational and Theoretical Chemistry · 2021 · 118 citations

Nanomedicine, Medicinal Chemistry, Chemical Engineering +14

Adsorption behaviour of metronidazole drug molecule on the surface of hydrogenated graphene, boron nitride and boron carbide nanosheets in gaseous and aqueous medium: A comparative DFT and QTAIM insight

Md. Rakib Hossain, Md. Mehade Hasan, Noor–E- Ashrafi et al. · Physica E Low-dimensional Systems and Nanostructures · 2020 · 105 citations

Materials Science, Comparative Dft, Chemical Engineering +13

A DFT study on the geometrical structures, electronic, and spectroscopic properties of inverse sandwich monocyclic boron nanoclusters ConBm (n = 1.2; m = 6–8)

Siraj Ud Daula Shamim, Tashrifa Hussain, Md. Rakib Hossian et al. · Journal of Molecular Modeling · 2020 · 62 citations

Spectroscopic Properties, Boron Nitride, Engineering +11

A theoretical study of allopurinol drug sensing by carbon and boron nitride nanostructures: DFT, QTAIM, RDG, NBO and PCM insights

Md. Helal Miah, Md. Rakib Hossain, Md. Saiful Islam et al. · RSC Advances · 2021 · 58 citations · Full text