Browse "Dept. of Chemistry(화학과)" by Author Mary, Y. Shyma

Showing results 1 to 6 of 6

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
Adsorption properties of dacarbazine with graphene/fullerene/metal nanocages - Reactivity, spectroscopic and SERS analysis

Al-Otaibi, Jamelah S.; Mary, Y. Sheena; Mary, Y. Shyma; Ullah, Zakir; Yadav, Rohitash; Gupta, Nitin; Churchill, David G., SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, v.268, 2022-03

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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