These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


Pubmed for Handhelds

PUBMED FOR HANDHELDS

Journal Abstract Search

689 related items for PubMed ID: 25756689

  • 21. 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]

  • 22. Spectroscopic investigations, quantum chemical calculations, HOMO-LUMO and NBO/NLMO analysis of 4-pyridinecarbohydrazide.
    Gobinath E, John Xavier R.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Nov 05; 115():815-22. PubMed ID: 23892123
    [Abstract] [Full Text] [Related]

  • 23. Experimental (FT-IR and FT-Raman) and theoretical (HF and DFT) investigation, NMR, NBO, electronic properties and frequency estimation analyses on 2,4,5-trichlorobenzene sulfonyl chloride.
    Gayathri R, Arivazhagan M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov 05; 97():311-25. PubMed ID: 22771567
    [Abstract] [Full Text] [Related]

  • 24. Spectroscopic (infrared, Raman, UV and NMR) analysis, Gaussian hybrid computational investigation (MEP maps/HOMO and LUMO) on cyclohexanone oxime.
    Ramalingam S, Karabacak M, Periandy S, Puviarasan N, Tanuja D.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Oct 05; 96():207-20. PubMed ID: 22683556
    [Abstract] [Full Text] [Related]

  • 25. Quantum chemical determination of molecular geometries, interpretation of FT-IR, FT-Raman spectra and charge transfer properties for N-(2-cyanoethyl)-N-methylaniline.
    Revathi B, Nataraj A, Balachandran V.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Apr 24; 124():1-11. PubMed ID: 24444764
    [Abstract] [Full Text] [Related]

  • 26. Experimental, quantum chemical and NBO/NLMO investigations of pantoprazole.
    Rajesh P, Gunasekaran S, Gnanasambandan T, Seshadri S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb 05; 136 Pt B():247-55. PubMed ID: 25315871
    [Abstract] [Full Text] [Related]

  • 27. Vibrational assignment, HOMO-LUMO and NBO analysis of (2S)-2-[(2-{[(2S)-1-hydroxybutan-2-yl]amino}ethyl)amino]butan-1-ol by density functional theory.
    Rajalakshmi K, Gunasekaran S, Kumaresan S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep 15; 130():466-79. PubMed ID: 24813275
    [Abstract] [Full Text] [Related]

  • 28. Electronic absorption, vibrational spectra, nonlinear optical properties, NBO analysis and thermodynamic properties of N-(4-nitro-2-phenoxyphenyl) methanesulfonamide molecule by ab initio HF and density functional methods.
    Rajamani T, Muthu S, Karabacak M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 May 15; 108():186-96. PubMed ID: 23474478
    [Abstract] [Full Text] [Related]

  • 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
    [Abstract] [Full Text] [Related]

  • 30. Synthesis, molecular conformation, vibrational and electronic transition, isometric chemical shift, polarizability and hyperpolarizability analysis of 3-(4-methoxy-phenyl)-2-(4-nitro-phenyl)-acrylonitrile: a combined experimental and theoretical analysis.
    Asiri AM, Karabacak M, Kurt M, Alamry KA.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Nov 24; 82(1):444-55. PubMed ID: 21856218
    [Abstract] [Full Text] [Related]

  • 31. Quantum chemical study on influence of intermolecular hydrogen bonding on the geometry, the atomic charges and the vibrational dynamics of 2,6-dichlorobenzonitrile.
    Agarwal P, Bee S, Gupta A, Tandon P, Rastogi VK, Mishra S, Rawat P.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Nov 24; 121():464-82. PubMed ID: 24287056
    [Abstract] [Full Text] [Related]

  • 32. Natural bond orbital analysis, electronic structure and vibrational spectral analysis of N-(4-hydroxyl phenyl) acetamide: a density functional theory.
    Govindasamy P, Gunasekaran S, Ramkumaar GR.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep 15; 130():621-33. PubMed ID: 24813292
    [Abstract] [Full Text] [Related]

  • 33. Computation and interpretation of vibrational spectra on the structure of Losartan using ab initio and Density Functional methods.
    Latha B, Gunasekaran S, Srinivasan S, Ramkumaar GR.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Nov 11; 132():375-86. PubMed ID: 24887499
    [Abstract] [Full Text] [Related]

  • 34. 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
    [Abstract] [Full Text] [Related]

  • 35. Quantum chemical density functional theory studies on the molecular structure and vibrational spectra of mannitol.
    Moorthi PP, Gunasekaran S, Swaminathan S, Ramkumaar GR.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb 25; 137():412-22. PubMed ID: 25233034
    [Abstract] [Full Text] [Related]

  • 36. Molecular structure, vibrational, electronic and thermal properties of 4-vinylcyclohexene by quantum chemical calculations.
    Nagabalasubramanian PB, Periandy S, Karabacak M, Govindarajan M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jun 15; 145():340-352. PubMed ID: 25795608
    [Abstract] [Full Text] [Related]

  • 37. The spectroscopic (FT-IR, FT-Raman, UV and NMR) first order hyperpolarizability and HOMO-LUMO analysis of dansyl chloride.
    Karabacak M, Cinar M, Kurt M, Poiyamozhi A, Sundaraganesan N.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jan 03; 117():234-44. PubMed ID: 23994679
    [Abstract] [Full Text] [Related]

  • 38. The new Schiff base 4-[(4-Hydroxy-3-fluoro-5-methoxy-benzylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one: experimental, DFT calculational studies and in vitro antimicrobial activity.
    İskeleli NO, Alpaslan YB, Direkel Ş, Ertürk AG, Süleymanoğlu N, Ustabaş R.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Mar 15; 139():356-66. PubMed ID: 25574656
    [Abstract] [Full Text] [Related]

  • 39. Quantum chemical vibrational study, molecular property, FTIR, FT-Raman spectra, NBO, HOMO-LUMO energies and thermodynamic properties of 1-methyl-2-phenyl benzimidazole.
    Karnan M, Balachandran V, Murugan M, Murali MK.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep 15; 130():143-51. PubMed ID: 24785089
    [Abstract] [Full Text] [Related]

  • 40. Experimental and DFT studies on the vibrational and electronic spectra and NBO analysis of 2-amino-3-((E)-(9-p-tolyl-9H-carbazol-3-yl) methyleneamino) maleonitrile.
    Meng N, Zhang Y, Wang Y, Ma K, Zhao J, Tang G.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Sep 15; 121():494-507. PubMed ID: 24291425
    [Abstract] [Full Text] [Related]

    Page: [Previous] [Next] [New Search]
    of 35.