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Journal Abstract Search

921 related items for PubMed ID: 25078461

  • 1. 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
    [Abstract] [Full Text] [Related]

  • 2. Structural and spectroscopic characterization of a novel potential anti-inflammatory agent 3-(adamantan-1-yl)-4-ethyl-1H-1,2,4-triazole-5(4H)thione by first principle calculations.
    Al-Tamimi AM, El-Emam AA, Al-Deeb OA, Prasad O, Pathak SK, Srivastava R, Sinha L.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Apr 24; 124():108-23. PubMed ID: 24468983
    [Abstract] [Full Text] [Related]

  • 3. FTIR, FT-RAMAN, NMR, spectra, normal co-ordinate analysis, NBO, NLO and DFT calculation of N,N-diethyl-4-methylpiperazine-1-carboxamide molecule.
    Muthu S, Elamurugu Porchelvi E.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Nov 24; 115():275-86. PubMed ID: 23845985
    [Abstract] [Full Text] [Related]

  • 4. DFT calculations and experimental FT-IR, FT-Raman, NMR, UV-Vis spectral studies of 3-fluorophenylboronic acid.
    Karabacak M, Kose E, Sas EB, Kurt M, Asiri AM, Atac A.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb 05; 136 Pt B():306-20. PubMed ID: 25448934
    [Abstract] [Full Text] [Related]

  • 5. An experimental and theoretical investigation of Acenaphthene-5-boronic acid: conformational study, NBO and NLO analysis, molecular structure and FT-IR, FT-Raman, NMR and UV spectra.
    Karabacak M, Sinha L, Prasad O, Asiri AM, Cinar M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Nov 05; 115():753-66. PubMed ID: 23892116
    [Abstract] [Full Text] [Related]

  • 6. Molecular structure, vibrational analysis (FT-IR, FT-Raman), NMR, UV, NBO and HOMO-LUMO analysis of N,N-Diphenyl Formamide based on DFT calculations.
    Mathammal R, Monisha NR, Yasaswini S, Krishnakumar V.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar 15; 139():521-32. PubMed ID: 25579654
    [Abstract] [Full Text] [Related]

  • 7. Conformational analysis, spectroscopic study (FT-IR, FT-Raman, UV, 1H and 13C NMR), molecular orbital energy and NLO properties of 5-iodosalicylic acid.
    Karaca C, Atac A, Karabacak M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb 05; 136 Pt B():295-305. PubMed ID: 25448933
    [Abstract] [Full Text] [Related]

  • 8. Vibrational spectra, molecular structure, NBO, UV, NMR, first order hyperpolarizability, analysis of 4-Methoxy-4'-Nitrobiphenyl by density functional theory.
    Govindarasu K, Kavitha E.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Mar 25; 122():130-41. PubMed ID: 24299985
    [Abstract] [Full Text] [Related]

  • 9. Molecular structure, vibrational spectra, natural bond orbital and thermodynamic analysis of 3,6-dichloro-4-methylpyridazine and 3,6-dichloropyridazine-4-carboxylic acid by dft approach.
    Prabavathi N, Senthil Nayaki N, Venkatram Reddy B.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb 05; 136 Pt B():1134-48. PubMed ID: 25459510
    [Abstract] [Full Text] [Related]

  • 10. Electronic [UV-Visible] and vibrational [FT-IR, FT-Raman] investigation and NMR-mass spectroscopic analysis of terephthalic acid using quantum Gaussian calculations.
    Karthikeyan N, Prince JJ, Ramalingam S, Periandy S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar 15; 139():229-42. PubMed ID: 25561302
    [Abstract] [Full Text] [Related]

  • 11. 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
    [Abstract] [Full Text] [Related]

  • 12. Molecular structure, vibrational and electronic properties of 4-Phenyl-3H-1,3-thiazol-2-ol using density functional theory and comparison of drug efficacy of keto and enol forms by QSAR analysis.
    Sachan AK, Pathak SK, Chand S, Srivastava R, Prasad O, Belaidi S, Sinha L.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Nov 11; 132():568-81. PubMed ID: 24892536
    [Abstract] [Full Text] [Related]

  • 13. 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
    [Abstract] [Full Text] [Related]

  • 14. Study on molecular structure, spectroscopic behavior, NBO, and NLO analysis of 3-methylbezothiazole-2-thione.
    Chand S, Al-Omary FA, El-Emam AA, Shukla VK, Prasad O, Sinha L.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jul 05; 146():129-41. PubMed ID: 25813170
    [Abstract] [Full Text] [Related]

  • 15. 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
    [Abstract] [Full Text] [Related]

  • 16. Spectroscopic (FT-IR, FT-Raman, UV and NMR) investigation and NLO, HOMO-LUMO, NBO analysis of organic 2,4,5-trichloroaniline.
    Govindarajan M, Karabacak M, Periandy S, Tanuja D.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov 05; 97():231-45. PubMed ID: 22765942
    [Abstract] [Full Text] [Related]

  • 17. 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 Nov 05; 121():394-403. PubMed ID: 24280302
    [Abstract] [Full Text] [Related]

  • 18. Spectroscopic (FT-IR, FT-Raman, and UV-visible) and quantum chemical studies on molecular geometry, Frontier molecular orbitals, NBO, NLO and thermodynamic properties of 1-acetylindole.
    Shukla VK, Al-Abdullah ES, El-Emam AA, Sachan AK, Pathak SK, Kumar A, Prasad O, Bishnoi A, Sinha L.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Dec 10; 133():626-38. PubMed ID: 24996206
    [Abstract] [Full Text] [Related]

  • 19. Quantum mechanical, spectroscopic studies (FT-IR, FT-Raman, NMR, UV) and normal coordinates analysis on 3-([2-(diaminomethyleneamino) thiazol-4-yl] methylthio)-N'-sulfamoylpropanimidamide.
    Muthu S, Uma Maheswari J, Sundius T.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 May 10; 108():307-18. PubMed ID: 23507526
    [Abstract] [Full Text] [Related]

  • 20. Quantum mechanical study of the structure and spectroscopic (FT-IR, FT-Raman, 13C, 1H and UV), first order hyperpolarizabilities, NBO and TD-DFT analysis of the 4-methyl-2-cyanobiphenyl.
    Sebastian S, Sundaraganesan N, Karthikeiyan B, Srinivasan V.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Feb 10; 78(2):590-600. PubMed ID: 21195659
    [Abstract] [Full Text] [Related]

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