Author

E. Isac Paulraj

Observed names: E Isac paulraj, E. Isac paulraj

Observed institution: Manonmaniam Sundaranar University

ORCID: 0000-0001-5634-2403

Observed ORCID: 0000-0001-5634-2403

OpenAlex ID: A5055956648

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

2013 · E. Isac Paulraj, S. Muthu · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 76

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

2012 · S. Muthu, E. Isac Paulraj · Solid State Sciences · 68

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

2013 · S. Muthu, E. Isac Paulraj · Journal of Molecular Structure · 59

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

2013 · S. Muthu, E. Isac Paulraj · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 34

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

2018 · Veeraragavan Vijayakumar, Arunachalam Prabakaran, et al. · Journal of Molecular Structure · 31

Spectroscopic (FT-IR, FT-Raman, NMR and UV–visible), ADMET and molecular docking investigation of aztreonam as anti-tuberculosis agent

2023 · N. Mani, S. Suresh, et al. · Chemical Physics Impact · 29

FT-IR, FT-Raman spectra and ab initio HF and DFT calculations of 7-chloro-5-(2-chlorophenyl)-3-hydroxy-2,3-dihydro-1H-1,4-benzodiazepin-2-one

2013 · S. Muthu, M. Prasath, et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 27

Spectroscopic studies, potential energy surface and molecular orbital calculations of pramipexole

2013 · S. Muthu, J. Uma Maheswari, et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 26

Molecular structure analysis and spectroscopic characterization of 5-ethyl-5-phenyl-1,3-diazinane-4,6-dione with experimental (FT-IR and FT-Raman) techniques and quantum chemical calculations

2013 · E. Isac Paulraj, S. Muthu · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 18

Quantum mechanical study of the structure and spectroscopic (FTIR, FT-Raman), first-order hyperpolarizability and NBO analysis of 1,2-benzoxazol-3-ylmenthane sulfonamide

2014 · S. Muthu, G. Ramachandran, et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 16

Molecular structure, vibrational spectra and 13C and 1H NMR spectral analysis of 1-methylnaphthalene by ab initio HF and DFT methods

2014 · S. Shailajha, U. Rajesh Kannan, et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 10

Spectroscopic characterization, electronic transitions and pharmacodynamic analysis of 1-Phenyl-1,3-butanedione: An effective agent for antipsychotic activity

2023 · M. Lawrence, E. Isac Paulraj, et al. · Chemical Physics Impact · 9

Two-Port UWB-MIMO Antenna Design for WiMAX and X-Band Applications

2023 · I. Evangeline Felicia, V. Gomathi, et al. · International Conference on Recent Trends in Electronics and Communication (ICRTEC) · 2

Exploration on structural, thermodynamic properties, molecular electrostatic potential, drug likeness, and Ramachandran plot of ethyl 3-oxobutanoate (C 6 H 10 O 3 )

2026 · M. Lawrence, E. Isac Paulraj, et al. · Molecular Crystals and Liquid Crystals · 1

Spectroscopic investigation and molecular modeling studies on some pharmaceutical materials

2013 · E Isac paulraj · Shodhganga

Solvation Analysis of Halogenated 4-Oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide

2013 · S. Muthu, E. Isac Paulraj · Asian Journal of Chemistry

Works count: 16

Citation count: 406

H-index: 10

I10-index: 11