A. Nilufer

FT-IR, FT-Raman and DFT quantum chemical study on the molecular conformation, vibrational and electronic transitions of 1-(m-(trifluoromethyl)phenyl)piperazine

N. Prabavathi, A. Nilufer, V. Krishnakumar · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2013 · 56 citations

Molecular Conformation, Molecular Spectroscopy, Physics +6

Spectroscopic (FT-IR, FT-Raman, UV and NMR) investigation, conformational stability, NLO properties, HOMO–LUMO and NBO analysis of hydroxyquinoline derivatives by density functional theory calculations

N. Prabavathi, A. Nilufer, V. Krishnakumar · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2013 · 42 citations

Biochemistry, Physicochemical Analysis, Natural Sciences +8

Vibrational spectroscopic (FT-IR and FT-Raman) studies, natural bond orbital analysis and molecular electrostatic potential surface of Isoxanthopterin

N. Prabavathi, A. Nilufer, V. Krishnakumar · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2013 · 35 citations

Molecular Spectroscopy, Natural Sciences, Spectroscopy +5

Quantum mechanical study of the structure and spectroscopic (FT-IR, FT-Raman, 13C, 1H and UV), NBO and HOMO–LUMO analysis of 2-quinoxaline carboxylic acid

N. Prabavathi, A. Nilufer, V. Krishnakumar · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2012 · 31 citations

Molecular Spectroscopy, Natural Sciences, Quantum Mechanical Study +8

Spectroscopic, electronic structure and natural bond analysis of 2-aminopyrimidine and 4-aminopyrazolo[3,4-d]pyrimidine: A comparative study

N. Prabavathi, A. Nilufer, V. Krishnakumar et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2012 · 21 citations

Engineering, Biochemistry, Natural Sciences +7