E. Isac Paulraj

Spectroscopic studies (FTIR, FT-Raman and UV), potential energy surface scan, normal coordinate analysis and NBO analysis of (2R,3R,4R,5S)-1-(2-hydroxyethyl)-2-(hydroxymethyl) piperidine-3,4,5-triol by DFT methods

E. Isac Paulraj, S. Muthu · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2013 · 71 citations

Dft Methods, Chemical Engineering, Engineering +13

Molecular structure, vibrational spectra, first order hyper polarizability, NBO and HOMO–LUMO analysis of 4-amino-3(4-chlorophenyl) butanoic acid

S. Muthu, E. Isac Paulraj · Solid State Sciences · 2012 · 66 citations

Vibrational Spectra, Biochemistry, Natural Sciences +4

Spectroscopic and molecular structure (monomeric and dimeric structure) investigation of 2-[(2-hydroxyphenyl) carbonyloxy] benzoic acid by DFT method: A combined experimental and theoretical study

S. Muthu, E. Isac Paulraj · Journal of Molecular Structure · 2013 · 57 citations

Molecular Spectroscopy, Biochemistry, Natural Sciences +6

Molecular structure and spectroscopic characterization of ethyl 4-aminobenzoate with experimental techniques and DFT quantum chemical calculations

S. Muthu, E. Isac Paulraj · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2013 · 33 citations

Experimental Techniques, Engineering, Spectroscopic Characterization +8

Synthesis, characterization, spectroscopic studies, DFT and molecular docking analysis of N, N′-dibutyl-3, 3′-diaminobenzidine

V. Vijayakumar, A. Prabakaran, Radhakrishnan Narayanaswamy et al. · Journal of Molecular Structure · 2018 · 30 citations

Combinatorial Chemistry, Engineering, Spectroscopic Studies +4