Maliha Nishat
Maliha Nishat
Assistant Professor
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DFT and QTAIM investigations of the adsorption of chlormethine anticancer drug on the exterior surface of pristine and transition metal functionalized boron nitride fullerene
MR Hossain, MM Hasan, M Nishat, F Ahmed, T Ferdous, MA Hossain
Journal of Molecular Liquids 323, 114627, 2021
Effect of Oxygen Deficiency on Optical and Magnetic Properties of Ba2MMoO6 (M=Cr, Mn, Fe): A First-Principles Study
FA Naafis Ahnaf Shahed, Maliha Nishat, Mst. Shamima Khanom
Computational Condensed Matter 23, e00464, 2020
Role of metal and anions in organo-metal halide perovskites CH 3 NH 3 MX 3 (M: Cu, Zn, Ga, Ge, Sn, Pb; X: Cl, Br, I) on structural and optoelectronic properties for …
M Nishat, MK Hossain, MR Hossain, S Khanom, F Ahmed, MA Hossain
RSC advances 12 (21), 13281-13294, 2022
Interaction of Anagrelide drug molecule on pristine and doped boron nitride nanocages: a DFT, RDG, PCM and QTAIM investigation
M Nishat, MR Hossain, MM Hasan, MK Hossain, MA Hossain, F Ahmed
Journal of Biomolecular Structure and Dynamics 41 (8), 3413-3429, 2023
Optical and Magnetic Properties of Oxygen-Deficient Ba 2 MMoO6−μ (M=Mn, Fe and μ=0, 0.5, 1.0) in a Monoclinic Phase: A First-Principles Study
MAHFA N. A. Shahed, M. K. Hossain, S. Khanom, M. Nishat, M. J. Alam
Spin 10 (03), 2050023, 2020
Investigation of the Effect of 3d TM-TM Atom Co-Doped in Graphene Nanosheet: DFT Based Calculations
M Nishat, R Islam, MA Rahman
Int. J. Mat. Math. Sci 3 (6), 122-132, 2021
First Principle Study of Pristine and Zn Doped B6 Nanocluster
M Nishat, MR Hossain, MF Israt, MK Hossain, F Ahmed, MA Hossain
2019 International Conference on Sustainable Technologies for Industry 4.0 …, 2019
Pressure effect on the physical properties of 413-type MAX phase compound Nb4AlC3: Insights from DFT simulation
M Nishat, MA Rahman, MF Islam, MA Hasnat, F Ahmed, MZ Hasan
Materials Science and Engineering: B 299, 116940, 2024
Computational Condensed Matter
NA Shahed, M Nishat, S Khanom, MK Hossain, MA Hossain, F Ahmed
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