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3
Spectroscopic studies of 5-fluoro-1H-pyrimidine-2,4-dione adsorption on nanorings, solvent effects and SERS analysis

Al-Otaibi, Jamelah S.; Mary, Y. Sheena; Mary, Y. Shyma; Acharjee, Nivedita; Churchill, David G., COMPUTATIONAL AND THEORETICAL CHEMISTRY, v.1217, 2022-11

4
Sumanene as a delivery carrier for methimazole drug: DFT, AIM, SERS and solvent effects

Al-Otaibi, Jamelah S.; Mary, Y. Sheena; Mary, Y. Shyma; Mondal, Asmita; Acharjee, Nivedita; Churchill, David G., COMPUTATIONAL AND THEORETICAL CHEMISTRY, v.1215, 2022-09

5
Theoretical model study of adsorbed antimalarial-graphene dimers: doping effects, photophysical parameters, intermolecular interactions, edge adsorption, and SERS

Ullah, Zakir; Sonawane, Prasad M.; Mary, Y. Sheena; Mary, Y. Shyma; Mane, Pratap; Chakraborty, Brahmananda; Churchill, David G., JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, v.40, no.24, pp.13581 - 13592, 2022-12

6
Theoretical SERS study of the strength and suitability of Cu12 nanostar for SERS: Complete theoretical studies, coinage metal SM12 comparisons, benzothiazole (BTH) adsorbent

Al-Otaibi, Jamelah S.; Mary, Y. Sheena; Mary, Y. Shyma; Trivedi, Ravi Kumar; Chakraborty, Brahmananda; Churchill, David G., COMPUTATIONAL AND THEORETICAL CHEMISTRY, v.1217, 2022-11

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