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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
Mary, Y. Sheena and Panicker, C. Yohannan and Kavitha, C. N. and Yathirajan, H. S. and Siddegowda, M. S. and Cruz, Sandra M. A. and Nogueira, Helena I. S. and Al-Saadi, Abdulaziz A. and Alsenoy, Christian Van and War, Javeed Ahmad (2015) Spectroscopic investigation (FT-IR, FT-Raman and SERS), vibrational assignments, HOMO–LUMO analysis and molecular docking study of Opipramol. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 137. 547 - 559. ISSN 1873-3557
Mary, Y. Sheena and Panicker, C. Yohannan and Yamuna, T. S. and Siddegowda, M. S. and Yathirajan, H. S. and Al-Saadi, Abdulaziz A. and Alsenoy, Christian Van (2014) Theoretical investigations on the molecular structure, vibrational spectral, HOMO–LUMO and NBO analysis of 9-3-(Dimethylamino)propyl-2-trifluoro-methyl-9H-thioxanthen-9-ol. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 132. 491 - 501. ISSN 1386-1425
Kaur, Manpreet and Mary, Y. Sheena and Varghese, Hema Tresa and Panicker, C. Yohannan and Yathirajan, H. S. and Siddegowda, M. S. and Alsenoy, Christian Van (2012) Vibrational spectroscopic, molecular structure, first hyperpolarizability and NBO studies of 4′-methylbiphenyl-2-carbonitrile. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 98. 91 - 99. ISSN 1873-3557
