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Y. Shyma Mary
Researcher at Fatima Mata National College
Publications - 127
Citations - 1783
Y. Shyma Mary is an academic researcher from Fatima Mata National College. The author has contributed to research in topics: Chemistry & Molecule. The author has an hindex of 17, co-authored 84 publications receiving 780 citations. Previous affiliations of Y. Shyma Mary include Bharathiar University.
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Synthesis, spectral properties, chemical descriptors and light harvesting studies of a new bioactive azo imidazole compound
Veena S. Kumar,Y. Sheena Mary,Kiran Pradhan,Dhiraj Brahman,Y. Shyma Mary,Renjith Thomas,M.S. Roxy,C. Van Alsenoy +7 more
TL;DR: In this paper, the synthesis and detailed spectral calculations of a new azoimidazole compound 1-[2-(2-hydroxy-3-methoxy-5-phenylazobenzaldeneamino) ethyl]-3-methyl-3H-IMI (HMAI) and its further characterisations using different quantum mechanical and molecular modelling tools were presented.
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Exploring the detailed spectroscopic characteristics, chemical and biological activity of two cyanopyrazine-2-carboxamide derivatives using experimental and theoretical tools
Shargina Beegum,Y. Sheena Mary,Y. Shyma Mary,Renjith Thomas,Stevan Armaković,Sanja J. Armaković,Jan Zitko,Martin Dolezal,C. Van Alsenoy +8 more
TL;DR: The spectroscopic and computational studies of two new pyrazine compounds, employing Fourier transformed infrared and Raman spectra, nuclear magnetic resonanceSpectra, and ultraviolet absorptions are compared with the simulated computational spectra and found that they are in the agreeable range.
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Theoretical Studies on the Structure and Various Physico-Chemical and Biological Properties of a Terphenyl Derivative with Immense Anti-Protozoan Activity
Y. Sheena Mary,Y. Shyma Mary,Renjith Thomas,Badiadka Narayana,Seranthimata Samshuddin,Balladka Kunhanna Sarojini,Stevan Armaković,Sanja J. Armaković,Girinath G. Pillai +8 more
TL;DR: Theoretical calculations at the B3LYP/CC-pVDZ level were used to find the IR, Raman, VCD, and various molecular properties of a terphenyl derivative as discussed by the authors.
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DFT and molecular docking investigations of oxicam derivatives.
TL;DR: First order hyperpolarizability of piroxicam is higher than that of isoxicam and tenoxicam, and Prediction of Activity Spectra gives activities, anti-inflammatory, CYP2C9 substrate and gout treatment.
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Experimental and computational analysis of 1-(4-chloro-3-nitrophenyl)-3-(3,4-dichlorophenyl)thiourea
Anna Bielenica,Shargina Beegum,Y. Sheena Mary,Y. Shyma Mary,Renjith Thomas,Stevan Armaković,Sanja J. Armaković,Silvia Madeddu,Marta Struga,C. Van Alsenoy +9 more
TL;DR: In this paper, a new thiourea derivative 1-(4-chloro-3-nitrophenyl)-3-(3,4-dichlorophenyl)thiouera (CNDCT) was compared and the vibrational modes were assigned to proper vibrations followed by potential energy distribution study.