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Journal Abstract Search

391 related items for PubMed ID: 22842350

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  • 22. Comparative vibrational spectroscopic studies, HOMO-LUMO, NBO analyses and thermodynamic functions of p-cresol and 2-methyl-p-cresol based on DFT calculations.
    Balachandran V, Murugan M, Nataraj A, Karnan M, Ilango G.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Nov 11; 132():538-49. PubMed ID: 24892532
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  • 26. FT-IR, FT-Raman, NMR studies and ab initio-HF, DFT-B3LYP vibrational analysis of 4-chloro-2-fluoroaniline.
    Arivazhagan M, Anitha Rexalin D.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Oct 11; 96():668-76. PubMed ID: 22885079
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  • 29. 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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  • 35. A structural and spectroscopic study on para-aminohippuric acid with experimental and theoretical approaches.
    Karabacak M, Cinar Z, Cinar M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Jan 24; 85(1):241-50. PubMed ID: 22036005
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  • 37. Natural bond orbital analysis, electronic structure, non-linear properties and vibrational spectral analysis of L-histidinium bromide monohydrate: a density functional theory.
    Sajan D, Joseph L, Vijayan N, Karabacak M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Oct 15; 81(1):85-98. PubMed ID: 21775197
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  • 38. Synthesis, spectroscopic (FT-IR, FT-Raman, UV and NMR) and computational studies on 3t-pentyl-2r,6c-diphenylpiperidin-4-one semicarbazone.
    Arockia doss M, Savithiri S, Rajarajan G, Thanikachalam V, Saleem H.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Sep 05; 148():189-202. PubMed ID: 25879989
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  • 39. 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 05; 94():53-64. PubMed ID: 22516115
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  • 40. Molecular structure and vibrational assignments of hippuric acid: a detailed density functional theoretical study.
    Karabacak M, Cinar M, Kurt M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Dec 05; 74(5):1197-203. PubMed ID: 19854673
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