H.S. Yathirajan

Vibrational spectra, HOMO, LUMO, NBO, MEP analysis and molecular docking study of 2,2-diphenyl-4-(piperidin-1-yl)butanamide

Y. Sheena Mary, Hema Tresa Varghese, C. Yohannan Panicker et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2015 · 77 citations

Vibrational Spectra, Engineering, Biochemistry +10

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

Y. Sheena Mary, C. Yohannan Panicker, T.S. Yamuna et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2014 · 50 citations

Molecular Spectroscopy, Vibrational Spectral, Natural Sciences +7

Spectroscopic investigation (FT-IR, FT-Raman and SERS), vibrational assignments, HOMO–LUMO analysis and molecular docking study of Opipramol

Y. Sheena Mary, C. Yohannan Panicker, C.N. Kavitha et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2014 · 41 citations

Spectroscopic Investigation, Molecular Spectroscopy, Natural Sciences +9

Vibrational spectroscopic studies (FT-IR, FT-Raman, SERS) and quantum chemical calculations on cyclobenzaprinium salicylate

Y. Sheena Mary, P.J. Jojo, Christian Van Alsenoy et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2013 · 38 citations

Natural Sciences, Spectroscopy, Cyclobenzaprinium Salicylate +9

Vibrational spectroscopic (FT-IR, FT-Raman, SERS) and quantum chemical calculations of 3-(10,10-dimethyl-anthracen-9-ylidene)-N,N,N-trimethylpropanaminiium chloride (Melitracenium chloride)

Y. Sheena Mary, P.J. Jojo, Christian Van Alsenoy et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2013 · 38 citations

Spectroscopic Property, N-trimethylpropanaminiium Chloride, Molecular Spectroscopy +9