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Journal Abstract Search

835 related items for PubMed ID: 23994677

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  • 5. Spectroscopic (FT-IR/FT-Raman) and computational (HF/DFT) investigation and HOMO/LUMO/MEP analysis on 2-amino-4-chlorophenol.
    Ramalingam S, Periandy S, Karabacak M, Karthikeyan N.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Mar; 104():337-51. PubMed ID: 23274261
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  • 9. Vibrational analysis using FT-IR, FT-Raman spectra and HF-DFT methods and NBO, NLO, NMR, HOMO-LUMO, UV and electronic transitions studies on 2,2,4-trimethyl pentane.
    Suvitha A, Periandy S, Govindarajan M, Gayathri P.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar 05; 138():900-12. PubMed ID: 25459692
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  • 10. Spectroscopic studies (FTIR, FT-Raman and UV-Visible), normal coordinate analysis, NBO analysis, first order hyper polarizability, HOMO and LUMO analysis of (1R)-N-(Prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-amine molecule by ab initio HF and density functional methods.
    Muthu S, Ramachandran G.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Mar 05; 121():394-403. PubMed ID: 24280302
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  • 11. FT-IR, FT-Raman and UV spectral investigation: computed frequency estimation analysis and electronic structure calculations on chlorobenzene using HF and DFT.
    Govindarajan M, Karabacak M, Udayakumar V, Periandy S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Mar 05; 88():37-48. PubMed ID: 22197345
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  • 12. FT-IR, FT-Raman, ab initio, HF and DFT studies, NBO, HOMO-LUMO and electronic structure calculations on 4-chloro-3-nitrotoluene.
    Govindarajan M, Karabacak M, Suvitha A, Periandy S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Apr 05; 89():137-48. PubMed ID: 22261102
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  • 14. The spectroscopic (FT-IR, FT-Raman, dispersive Raman and NMR) study of ethyl-6-chloronicotinate molecule by combined density functional theory.
    Karabacak M, Calisir Z, Kurt M, Kose E, Atac A.
    Spectrochim Acta A Mol Biomol Spectrosc; 2016 Jan 15; 153():754-70. PubMed ID: 26483317
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  • 15. Vibrational spectroscopic [FT-IR, FT-Raman] investigation on (2,4,5-Trichlorophenoxy) Acetic acid using computational [HF and DFT] analysis.
    Karthikeyan N, Joseph Prince J, Ramalingam S, Periandy S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Apr 24; 124():165-77. PubMed ID: 24486865
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  • 16. Experimental and theoretical investigation of the molecular structure, conformational stability, hyperpolarizability, electrostatic potential, thermodynamic properties and NMR spectra of pharmaceutical important molecule: 4'-methylpropiophenone.
    Karunakaran V, Balachandran V.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jul 15; 128():1-14. PubMed ID: 24657464
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  • 17. Normal coordinate analysis, molecular structure, vibrational, electronic spectra and NMR investigation of 4-Amino-3-phenyl-1H-1,2,4-triazole-5(4H)-thione by ab initio HF and DFT method.
    Bahgat K, Fraihat S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jan 25; 135():1145-55. PubMed ID: 25195198
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  • 18. Spectroscopic (FTIR, FT-Raman, 13C and 1H NMR) investigation, molecular electrostatic potential, polarizability and first-order hyperpolarizability, FMO and NBO analysis of 1-methyl-2-imidazolethiol.
    Xavier RJ, Dinesh P.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jan 24; 118():999-1011. PubMed ID: 24184581
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  • 19. Molecular structure investigation and spectroscopic studies on 2,3-difluorophenylboronic acid: a combined experimental and theoretical analysis.
    Karabacak M, Kose E, Atac A, Ali Cipiloglu M, Kurt M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov 24; 97():892-908. PubMed ID: 22902933
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  • 20. Vibrational spectroscopic studies, NLO, HOMO-LUMO and electronic structure calculations of α,α,α-trichlorotoluene using HF and DFT.
    Govindarajan M, Karabacak M, Periandy S, Xavier S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Aug 24; 94():53-64. PubMed ID: 22516115
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