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Journal Abstract Search

619 related items for PubMed ID: 25448946

  • 21. Quantum chemical calculations on elucidation of molecular structure and spectroscopic insights on 2-amino-4-methoxy-6-methylpyrimidine and 2-amino-5-bromo-6-methyl-4-pyrimidinol--a comparative study.
    Prabavathi N, Nilufer A.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb 05; 136 Pt B():192-204. PubMed ID: 25440582
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  • 26. Experimental (FT-IR, FT-Raman, UV and NMR) and quantum chemical studies on molecular structure, spectroscopic analysis, NLO, NBO and reactivity descriptors of 3,5-Difluoroaniline.
    Pathak SK, Srivastava R, Sachan AK, Prasad O, Sinha L, Asiri AM, Karabacak M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jan 25; 135():283-95. PubMed ID: 25078461
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  • 28. 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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  • 29. DFT analysis on the molecular structure, vibrational and electronic spectra of 2-(cyclohexylamino)ethanesulfonic acid.
    Renuga Devi TS, Sharmi kumar J, Ramkumaar GR.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb 25; 137():761-77. PubMed ID: 25262144
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  • 33. Vibrational frequency analysis, FT-IR, FT-Raman, ab initio, HF and DFT studies, NBO, HOMO-LUMO and electronic structure calculations on pycolinaldehyde oxime.
    Suvitha A, Periandy S, Boomadevi S, Govindarajan M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jan 03; 117():216-24. PubMed ID: 23994677
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  • 35. 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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  • 36. Spectroscopic, electronic structure and natural bond analysis of 2-aminopyrimidine and 4-aminopyrazolo[3,4-d]pyrimidine: a comparative study.
    Prabavathi N, Nilufer A, Krishnakumar V, Akilandeswari L.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Oct 15; 96():226-41. PubMed ID: 22683558
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  • 40. Vibrational spectra (experimental and theoretical), molecular structure, natural bond orbital, HOMO-LUMO energy, Mulliken charge and thermodynamic analysis of N'-hydroxy-pyrimidine-2-carboximidamide by DFT approach.
    Jasmine NJ, Muthiah PT, Arunagiri C, Subashini A.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jun 05; 144():215-25. PubMed ID: 25756689
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