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Sheena Mary Y
Sheena Mary Y
Fatima Mata National College,Kollam,University of kerala
在 fatimacollege.net 的电子邮件经过验证
标题
引用次数
引用次数
年份
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
1132020
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
972009
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
862018
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
842012
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
742020
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
702015
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
682019
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
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
642020
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
642015
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
632019
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
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
582019
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
572018
Vibrational spectroscopic, molecular structure, first hyperpolarizability and NBO studies of 4′-methylbiphenyl-2-carbonitrile
M Kaur, YS Mary, HT Varghese, CY Panicker, HS Yathirajan, ...
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 98, 91-99, 2012
572012
DFT and experimental (FT-IR and FT-Raman) investigation of vibrational spectroscopy and molecular docking studies of 2-(4-oxo-3-phenethyl-3, 4-dihydroquinazolin-2-ylthio)-N-(3 …
AS El-Azab, YS Mary, CY Panicker, AM Alaa, MA El-Sherbeny, ...
Journal of Molecular Structure 1113, 133-145, 2016
562016
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
552015
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
542021
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
542016
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
542015
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