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Yadav VK, Mir S, Mishra V, Gopakumar TG and Singh JK "A Simple Molecular Design for Tunable Two-Dimensional Imine Covalent Organic Frameworks for Optoelectronic Applications "Phys. Chem. Chem. Phys. (2020)
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Mir S, Yadav VK and Singh JK "Unraveling the stacking effect and stability in nanocrystalline antimony through DFT "J. Phys. Chem. Solid (2020)
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Mir SH, Yadav VK and Singh JK "Boron-Carbon-Nitride Sheet as a Novel Surface for Biological Applications: Insights from Density Functional Theory "ACS Omega (2019)
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Yadav VK, Mir SH and Singh JK "Density functional theory study of aspirin adsorption on BCN sheets and their hydrogen evolution reaction activity: a comparative study with graphene and hexagonal boron nitride "ChemPhysChem (2019)
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