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S.Al-Otaibi, Jamelah and Mary, Y. Sheena and Mary, Y. Shyma and Armaković, Sanja J. and Armaković, Stevan and Van Alsenoy, Christian and Yathirajan, H. S. (2022) Insights into the reactivity properties, docking, DFT and MD simulations of orphenadrinium dihydrogen citrate in different solvents. Journal of Molecular Liquids, 367. p. 120583. ISSN 0167-7322
Vidya, V. Menon and Fazal, E. and Mary, Y. Sheena and Panicker, C. Yohannan and Armaković, Stevan and Armaković, Sanja J. and Nagarajan, S. and Alsenoy, C. Van (2017) FT-IR, FT-Raman and NMR characterization of 2-isopropyl-5-methylcyclohexyl quinoline-2-carboxylate and investigation of its reactive and optoelectronic properties by molecular dynamics simulations and DFT calculations. Journal of Molecular Structure, 1127. 124 - 137. ISSN 0022-2860
Jalaja, K. and Mary, Y. Sheena and Panicker, C. Yohannan and Armaković, Stevan and Armaković, Sanja J. and Sagar, B. K. and Girisha, M. and Yathirajan, H. S. and Alsenoy, C. Van (2017) Spectroscopic characterization of 4-2-(5-Ethylpyridin-2-yl)ethoxybenzaldehyde oxime and investigation of its reactive properties by DFT calculations and molecular dynamics simulations. Journal of Molecular Structure, 1128. 245 - 256. ISSN 0022-2860
Jalaja, K. and Mary, Y. Sheena and Panicker, C. Yohannan and Armaković, Stevan and Armaković, Sanja J. and Sagar, B. K. and Girisha, M. and Yathirajan, H. S. and Alsenoy, C. Van (2017) Spectroscopic characterization of 4-2-(5-Ethylpyridin-2-yl)ethoxybenzaldehyde oxime and investigation of its reactive properties by DFT calculations and molecular dynamics simulations. Journal of Molecular Structure, 1128. 245 - 256. ISSN 0022-2860
