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Sheena Mary Y
Sheena Mary Y
Fatima Mata National College,Kollam,University of kerala
Verified email at fatimacollege.net
Title
Cited by
Cited by
Year
Quinoline derivatives as possible lead compounds for anti-malarial drugs: Spectroscopic, DFT and MD study
B Sureshkumar, YS Mary, CY Panicker, S Suma, S Armaković, ...
Arabian Journal of Chemistry 13 (1), 632-648, 2020
1262020
FT-IR, FT-raman and SERS spectra of L-proline
YS Mary, L Ushakumari, B Harikumar, HT Varghese, CY Panicker
Journal of the Iranian Chemical Society 6, 138-144, 2009
1022009
Synthesis and spectroscopic study of three new oxadiazole derivatives with detailed computational evaluation of their reactivity and pharmaceutical potential
YS Mary, PB Miniyar, YS Mary, KS Resmi, CY Panicker, S Armaković, ...
Journal of Molecular Structure 1173, 469-480, 2018
912018
FT-IR, FT-Raman, SERS and computational study of 5-ethylsulphonyl-2-(o-chlorobenzyl) benzoxazole
YS Mary, K Raju, I Yildiz, O Temiz-Arpaci, HIS Nogueira, CM Granadeiro, ...
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 96, 617-625, 2012
882012
Two neoteric pyrazole compounds as potential anti-cancer agents: synthesis, electronic structure, physico-chemical properties and docking analysis
R Thomas, YS Mary, KS Resmi, B Narayana, BK Sarojini, G Vijayakumar, ...
Journal of Molecular Structure 1181, 455-466, 2019
872019
Synthesis, spectral properties, chemical descriptors and light harvesting studies of a new bioactive azo imidazole compound
VS Kumar, YS Mary, K Pradhan, D Brahman, YS Mary, R Thomas, ...
Journal of Molecular Structure 1199, 127035, 2020
842020
Synthesis, characterization and biological investigation of glycine-based sulfonamide derivative and its complex: Vibration assignment, HOMO–LUMO analysis, MEP and molecular …
P Shafieyoon, E Mehdipour, YS Mary
Journal of Molecular Structure 1181, 244-252, 2019
762019
FT-IR, NBO, HOMO–LUMO, MEP analysis and molecular docking study of 1-[3-(4-Fluorophenyl)-5-phenyl-4, 5-dihydro-1H-pyrazol-1-yl] ethanone
YS Mary, CY Panicker, M Sapnakumari, B Narayana, BK Sarojini, ...
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 136, 483-493, 2015
762015
Molecular structure, FT-IR, vibrational assignments, HOMO–LUMO analysis and molecular docking study of 1-[5-(4-Bromophenyl)-3-(4-fluorophenyl)-4, 5-dihydro-1H-pyrazol-1-yl …
YS Mary, CY Panicker, M Sapnakumari, B Narayana, BK Sarojini, ...
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 136, 473-482, 2015
732015
Vibrational spectroscopic studies, Fukui functions, HOMO-LUMO, NLO, NBO analysis and molecular docking study of (E)-1-(1, 3-benzodioxol-5-yl)-4, 4-dimethylpent-1-en-3-one, a …
RI Al-Wabli, KS Resmi, YS Mary, CY Panicker, MI Attia, AA El-Emam, ...
Journal of Molecular Structure 1123, 375-383, 2016
712016
Exploring the detailed spectroscopic characteristics, chemical and biological activity of two cyanopyrazine-2-carboxamide derivatives using experimental and theoretical tools
S Beegum, YS Mary, YS Mary, R Thomas, S Armaković, SJ Armaković, ...
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 224, 117414, 2020
702020
Spectroscopic analysis and molecular docking of imidazole derivatives and investigation of its reactive properties by DFT and molecular dynamics simulations
R Thomas, M Hossain, YS Mary, KS Resmi, S Armaković, SJ Armaković, ...
Journal of Molecular Structure 1158, 156-175, 2018
672018
Vibrational spectra, HOMO, LUMO, NBO, MEP analysis and molecular docking study of 2, 2-diphenyl-4-(piperidin-1-yl) butanamide
YS Mary, HT Varghese, CY Panicker, M Girisha, BK Sagar, HS Yathirajan, ...
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 150, 543-556, 2015
672015
Vibrational spectroscopic studies and ab initio calculations of 5-nitro-2-(p-fluorophenyl) benzoxazole
YS Mary, HT Varghese, CY Panicker, T Ertan, I Yildiz, O Temiz-Arpaci
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 71 (2 …, 2008
662008
Synthesis and spectroscopic study of two new pyrazole derivatives with detailed computational evaluation of their reactivity and pharmaceutical potential
R Thomas, YS Mary, KS Resmi, B Narayana, SBK Sarojini, S Armaković, ...
Journal of Molecular Structure 1181, 599-612, 2019
642019
Molecular structure, FT-IR, NBO, HOMO and LUMO, MEP and first order hyperpolarizability of (2E)-1-(2, 4-Dichlorophenyl)-3-(3, 4, 5-trimethoxyphenyl) prop-2-en-1-one by HF and …
YS Mary, CY Panicker, PL Anto, M Sapnakumari, B Narayana, BK Sarojini
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 135, 81-92, 2015
632015
Molecular dynamic simulations, ALIE surface, Fukui functions geometrical, molecular docking and vibrational spectra studies of tetra chloro p and m-xylene
G Venkatesh, C Kamal, P Vennila, M Govindaraju, YS Mary, S Armakovic, ...
Journal of Molecular Structure 1171, 253-267, 2018
612018
Theoretical studies on the structure and various physico-chemical and biological properties of a terphenyl derivative with immense anti-protozoan activity
YS Mary, YS Mary, R Thomas, B Narayana, S Samshuddin, BK Sarojini, ...
Polycyclic Aromatic Compounds 41 (4), 825-840, 2021
602021
Spectroscopic investigations, NBO, HOMO–LUMO, NLO analysis and molecular docking of 5-(adamantan-1-yl)-3-anilinomethyl-2, 3-dihydro-1, 3, 4-oxadiazole-2-thione, a potential …
FAM Al-Omary, YS Mary, CY Panicker, AA El-Emam, IA Al-Swaidan, ...
Journal of Molecular Structure 1096, 1-14, 2015
602015
Understanding reactivity of two newly synthetized imidazole derivatives by spectroscopic characterization and computational study
M Hossain, R Thomas, YS Mary, KS Resmi, S Armaković, SJ Armaković, ...
Journal of molecular structure 1158, 176-196, 2018
592018
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