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Mary, Y. S. and Panicker, C. Y. and Kavitha, C. N. and Yathirajan, H. S. and Siddegowda, M. S. and Cruz, S. M. A. and Nogueira, H. I. S. and Al-Saadi, A. A. and Van Alsenoy, C. and War, J. A. (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. pp. 547-559. ISSN 1386-1425
Mary, Y. S. and Varghese, H. T. and Panicker, C. Y. and Girisha, M. and Sagar, B. K. and Yathirajan, H. S. and Al-Saadi, A. A. and Van Alsenoy, C. (2015) Vibrational spectra, HOMO, LUMO, NBO, MEP analysis and molecular docking study of 2,2-diphenyl-4-(piperidin-1-yl)butanamide. Spectrochimica Acta Part A-Molecular And Biomolecular Spectroscopy, 150. pp. 543-556. ISSN 1386-1425
Mary, Y. S. and Yamuna, T. S. and Panicker, C. Y. and Yathirajan, H. S. and Siddegowda, M. S. and Al-Saadi, A. A. and Van Alsenoy, C. and War, J. A. (2015) Vibrational spectroscopic studies and molecular docking of 10,10-Dimethylanthrone. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 135. pp. 652-661. ISSN 1386-1425
Chidan Kumar, C. S. and Panicker, C. Y. and Fun, H. K. and Mary, Y. S. and Harikumar, B. and Chandraju, S. and Quah, C. K. and Ooi, C. W. (2014) FT-IR, molecular structure, first order hyperpolarizability, HOMO and LUMO analysis, MEP and NBO analysis of 2-(4-chlorophenyl)-2-oxoethyl 3-nitrobenzoate. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 126. pp. 208-219.
Mary, Y. S. and Panicker, C. Y. and Yamuna, T. S. and Siddegowda, M. S. and Yathirajan, H. S. and Al-Saadi, A. A. and Van Alsenoy, C. (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. pp. 491-501. ISSN 1386-1425
Kaur, M. and Mary, Y. S. and Panicker, C. Y. and Varghese, H. T. and Yathirajan, H. S. and Byrappa, K. and Van Alsenoy, C. (2014) Vibrational spectroscopic (FT-IR, FT-Raman) and quantum chemical calculations of 1-(5,5-dioxido-10H-phenothiazin-10-yl)ethanone. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 120. pp. 445-455. ISSN 1386-1425
