Masoome Sheikhi

Interaction Between New Anti-cancer Drug Syndros and CNT(6,6-6) Nanotube for Medical Applications: Geometry Optimization, Molecular Structure, Spectroscopic (NMR, UV/Vis, Excited state), FMO, MEP and HOMO-LUMO Investigation

Masoome Sheikhi, Mehrnoosh Khaleghian, Rakesh Kumar · Applied Surface Science · 2017 · 73 citations

Nanomedicine, Engineering, Nanomaterials +10

Adsorption properties of the molecule resveratrol on CNT(8,0-10) nanotube: Geometry optimization, molecular structure, spectroscopic (NMR, UV/Vis, excited state), FMO, MEP and HOMO-LUMO investigations

Masoome Sheikhi, Mehrnoosh Khaleghian, Fatemeh Haji Hajikolaee et al. · Journal of Molecular Structure · 2018 · 66 citations

Chemical Engineering, Engineering, Carbon-based Material +8

Quantum chemical modeling of new derivatives of ( E,E )-azomethines: Synthesis, spectroscopic (FT-IR, UV/Vis, polarization) and thermophysical investigations

Masoome Sheikhi, Liudmila Filippovich, Dikusar Evgenij Anatol’evich et al. · Journal of Molecular Structure · 2017 · 64 citations

Thermophysical Investigations, Quantum Chemical Modeling, Derivatives +11

Adsorption of alprazolam drug on the B12N12 and Al12N12 nano-cages for biological applications: A DFT study

Sadegh Kaviani, Masoome Sheikhi · Physica E Low-dimensional Systems and Nanostructures · 2020 · 63 citations

Al12n12 Nano-cages, Nanomedicine, Engineering +9

DFT study on the selective complexation of meso-2,3-dimercaptosuccinic acid with toxic metal ions (Cd2+, Hg2+ and Pb2+) for pharmaceutical and biological applications

Sadegh Kaviani, Masoome Sheikhi, Mahin Ahmadianarog · Journal of Molecular Structure · 2018 · 55 citations

Inorganic Chemistry, Medicinal Chemistry, Engineering +13