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1
A foundational theoretical Al12E12 (E = N, P) adsorption and quinolone docking study: cage-quinolone pairs, optics and possible therapeutic and diagnostic applications

Ullah, Zakir; Sonawane, Prasad M.; Mary, Y. Sheena; Mary, Y. Shyma; Panicker, C. Yohannan; Churchill, David G., JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, v.41, no.8, pp.3630 - 3646, 2023-05

2
Theoretical study of glycoluril by highly symmetrical magnesium oxide Mg12O12 nanostructure: adsorption, detection, SERS enhancement, and electrical conductivity study

Al-Otaibi, Jamelah S.; Mary, Y. Sheena; Mary, Yohannan Shyma; Acharjee, Nivedita; Churchill, David G., JOURNAL OF MOLECULAR MODELING, v.28, no.10, 2022-10

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