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
Isac Paulraj, E., Muthu, S.
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (01.05.2013)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (01.05.2013)
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Journal Article
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
Muthu, S., Prasath, M., Isac Paulraj, E., Arun Balaji, R.
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (2014)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (2014)
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Journal Article
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
Isac Paulraj, E., Muthu, S.
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (01.04.2013)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (01.04.2013)
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Journal Article
Quantum mechanical study of the structure and spectroscopic (FTIR, FT-Raman), first-order hyperpolarizability and NBO analysis of 1,2-benzoxazol-3-ylmenthane sulfonamide
Muthu, S., Ramachandran, G., Isac Paulraj, E., Swaminathan, T.
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (15.07.2014)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (15.07.2014)
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Journal Article
Synthesis, characterization, spectroscopic studies, DFT and molecular docking analysis of N4, N4′-dibutyl-3, 3′-diaminobenzidine
Vijayakumar, Veeraragavan, Prabakaran, Arunachalam, Radhakrishnan, Narayanaswamy, Muthu, Sambanthan, Rameshkumar, Chidambaram, Isac Paulraj, E.
Published in Journal of molecular structure (05.03.2019)
Published in Journal of molecular structure (05.03.2019)
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Journal Article
Spectroscopic (FT-IR, FT-Raman, NMR and UV–visible), ADMET and molecular docking investigation of aztreonam as anti-tuberculosis agent
Mani, N., Suresh, S., Govindammal, M., Kannan, S., Paulraj, E. Isac, Nicksonsebastin, D., Prasath, M.
Published in Chemical physics impact (01.12.2023)
Published in Chemical physics impact (01.12.2023)
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Journal Article
Two-Port UWB-MIMO Antenna Design for WiMAX and X-Band Applications
Felicia, I. Evangeline, Gomathi, V., Paulraj, E. Isac
Published in 2023 International Conference on Recent Trends in Electronics and Communication (ICRTEC) (10.02.2023)
Published in 2023 International Conference on Recent Trends in Electronics and Communication (ICRTEC) (10.02.2023)
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Conference Proceeding
Synthesis, characterization, spectroscopic studies, DFT and molecular docking analysis of N, N′-dibutyl-3, 3′-diaminobenzidine
Vijayakumar, Veeraragavan, Prabakaran, Arunachalam, Radhakrishnan, Narayanaswamy, Muthu, Sambanthan, Rameshkumar, Chidambaram, Isac Paulraj, E.
Published in Journal of molecular structure (05.03.2019)
Published in Journal of molecular structure (05.03.2019)
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Journal Article
Molecular structure, vibrational spectra and 13C and 1H NMR spectral analysis of 1-methylnaphthalene by ab initio HF and DFT methods
Shailajha, S., Rajesh Kannan, U., Sheik Abdul Kadhar, S.P., Isac Paulraj, E.
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (10.12.2014)
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (10.12.2014)
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Journal Article
Molecular structure, vibrational spectra and (13)C and (1)H NMR spectral analysis of 1-methylnaphthalene by ab initio HF and DFT methods
Shailajha, S, Rajesh Kannan, U, Sheik Abdul Kadhar, S P, Isac Paulraj, E
Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (10.12.2014)
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Published in Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (10.12.2014)
Journal Article