Y Sheena Mary

3PUBLICATIONS
0CO-AUTHORS
Radiation and matterBiomolecular modelling and designPhysical properties of materials
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Publications (3)

|Jul 04, 2021
Investigation of the reactivity properties of a thiourea derivative with anticancer activity by DFT and MD simulations.

Y Sheena Mary, Y Shyma Mary, Anna Bielenica

|May 26, 2021
Modeling the structural and reactivity properties of hydrazono methyl-4H-chromen-4-one derivatives-wavefunction-dependent properties, molecular docking, and dynamics simulation studies.

Y Sheena Mary, Y Shyma Mary, K S Resmi

|Mar 25, 2021
Adsorption of adipic acid in Al/B-N/P nanocages: DFT investigations.

Jamelah S Al-Otaibi, Y Sheena Mary, Y Shyma Mary

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