Spectroscopic, single crystal XRD structure, DFT and molecular dynamics investigation of 1-(3-chloro-4-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea
Sheena Mary, Y., Aswathy, V. V., Panicker, C. Yohannan, Bielenica, Anna, Brzózka, Paulina, Savczenko, Oleksandra, Armaković, Stevan, Armaković, Sanja J., Van Alsenoy, Christian
Published in RSC advances (01.01.2016)
Published in RSC advances (01.01.2016)
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Spectroscopic investigations and molecular docking study of 3-(1H-imidazol-1-yl)-1-phenylpropan-1-one, a potential precursor to bioactive agents
Al-Alshaikh, Monirah A., Mary Y, Sheena, Panicker, C. Yohannan, Attia, Mohamed I., El-Emam, Ali A., Alsenoy, C. Van
Published in Journal of molecular structure (05.04.2016)
Published in Journal of molecular structure (05.04.2016)
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Vibrational spectroscopic studies and computational study of ethyl methyl ketone thiosemicarbazone
Anoop, M.R., Binil, P.S., Suma, S., Sudarsanakumar, M.R., Y, Sheena Mary, Varghese, Hema Tresa, Panicker, C. Yohannan
Published in Journal of molecular structure (22.04.2010)
Published in Journal of molecular structure (22.04.2010)
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Quantum mechanical and spectroscopic (FT-IR, FT-Raman, super(1)H NMR and UV) investigations of 5-nitro-2-phenylbenzoxazole
Bhagyasree, J B, Varghese, Hema Tresa, Panicker, CYohannan, Samuel, Jadu, Alsenoy, Christian Van, Ertan-Bolelli, Tugba, Yildiz, Ilkay
Published in Journal of molecular structure (01.04.2014)
Published in Journal of molecular structure (01.04.2014)
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Infrared and Raman spectroscopic analysis and theoretical computation of the first hyperpolarizability of a monoarylated anthraquinone, 1-(4-methoxyphenyl)-4-methylanthraquinone
Joseph, Tomy, Varghese, Hema Tresa, Panicker, C. Yohannan, Thiemann, Thies, Viswanathan, K., Van Alsenoy, Christian
Published in Journal of molecular structure (16.11.2011)
Published in Journal of molecular structure (16.11.2011)
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Vibrational spectroscopic studies and computational study of quinoline-2-carbaldehyde benzoyl hydrazone
Sheeja, S.R., Mangalam, Neema Ani, Prathapachandra Kurup, M.R., Sheena Mary, Y., Raju, K., Varghese, Hema Tresa, Panicker, C. Yohannan
Published in Journal of molecular structure (02.06.2010)
Published in Journal of molecular structure (02.06.2010)
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IR, Raman and DFT Calculations of 5,6-benzo-2-pyrone
MARY, Y. SHEENA, PANICKER, C.YOHANNAN, VARGHESE, HEMA TRESA
Published in Oriental journal of chemistry (18.06.2012)
Published in Oriental journal of chemistry (18.06.2012)
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FT-IR, FT-Raman spectroscopy and computational study of N-carbamimidoyl-4-{[(E)-((2-hydroxyphenyl)methylidene]amino}benzen e sulfonamide
Chandran, Asha, Mary, YSheena, Varghese, Hema Tresa, Panicker, CYohannan, Pazdera, Pavel, Rajendran, G, Babu, N
Published in Journal of molecular structure (19.04.2011)
Published in Journal of molecular structure (19.04.2011)
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Vibrational spectroscopic studies and computational study of 4-fluoro-N-(2'-hydroxy-4'-nitrophenyl)phenylaceta mide
Mary, YSheena, Panicker, CYohannan, Varghese, Hema Tresa, Raju, K, Bolelli, Tugba Ertan, Yildiz, Ilkay, Granadeiro, Carlos M, Nogueira, Helena IS
Published in Journal of molecular structure (17.05.2011)
Published in Journal of molecular structure (17.05.2011)
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Vibrational spectroscopic and theoretical study of Barbituric acid
Somi Sebastian, Varghese, Hema Tresa, Mary, Y Shena, Yohan, C
Published in Oriental journal of chemistry (01.01.2010)
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Published in Oriental journal of chemistry (01.01.2010)
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