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8 works

Work: A possible definition of basis set superposition error

  1. The drug delivery of methimazole through the sensing function assessments of BeO fullerene-like particles: DFT study

    Mounir M. Salem‐Bekhit, Miao Dai, Mavjuda Rakhmatullaeva +3

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  2. Assessing BeO, MgO, and CaO nanocages for a facile detection of hazardous phosgene oxime along with DFT calculations

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  4. An enhanced adsorption of paracetamol drug using the iron-encapsulated boron carbide nanocage: DFT outlook

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  5. Assessments of carbon and boron nitride graphdiyne nanosheets for exploring the amphetamine drug adsorbents/sensors along with density functional theory

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  6. Density functional theory based analyses of beryllium oxide fullerene assisted adsorptions of ammonia, phosphine, and arsine toxic gases towards sensing and removal prospective applications

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  7. Structural and electronic assessments of Thiamazole adsorption on the transition metal doped fullerenes as a potential smart drug delivery platform

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  8. A molecular insight into the development of sensitive glucometers along with DFT investigation of glucose adsorption by a beryllium oxide particle

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