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321 related items for PubMed ID: 24291449

  • 21. DFT/TD-DFT study of novel T shaped phenothiazine-based organic dyes for dye-sensitized solar cells applications.
    Xu Z, Li Y, Zhang W, Yuan S, Hao L, Xu T, Lu X.
    Spectrochim Acta A Mol Biomol Spectrosc; 2019 Apr 05; 212():272-280. PubMed ID: 30658281
    [Abstract] [Full Text] [Related]

  • 22. Molecular structure, vibrational, UV, NMR, hyperpolarizability, NBO and HOMO-LUMO analysis of Pteridine2,4-dione.
    Prabavathi N, Nilufer A, Krishnakumar V.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Dec 05; 99():292-302. PubMed ID: 23085999
    [Abstract] [Full Text] [Related]

  • 23. Spectroscopic properties, NLO, HOMO-LUMO and NBO of maltol.
    Krishnakumar V, Barathi D, Mathammal R, Balamani J, Jayamani N.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Dec 05; 121():245-53. PubMed ID: 24247097
    [Abstract] [Full Text] [Related]

  • 24. Theoretical screening of novel alkyne bridged zinc porphyrins as sensitizer candidates for dye-sensitized solar cells.
    Zhang X, Du Y, Chen Q, Sun H, Pan T, Hu G, Ma R, Sun Y, Li D, Dou J, Pan X.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Dec 10; 133():514-20. PubMed ID: 24983919
    [Abstract] [Full Text] [Related]

  • 25. Vibrational and UV spectra, first order hyperpolarizability, NBO and HOMO-LUMO analysis of 4-chloro-N-(2-methyl-2,3-dihydroindol-1-yl)-3-sulfamoyl-benzamide.
    Muthu S, Rajamani T, Karabacak M, Asiri AM.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Mar 25; 122():1-14. PubMed ID: 24291448
    [Abstract] [Full Text] [Related]

  • 26. 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 25; 96():207-20. PubMed ID: 22683556
    [Abstract] [Full Text] [Related]

  • 27. 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 Oct 25; 121():394-403. PubMed ID: 24280302
    [Abstract] [Full Text] [Related]

  • 28. Vibrational spectroscopic, first-order hyperpolarizability and HOMO, LUMO studies of 4-chloro-2-(trifluoromethyl) aniline based on DFT calculations.
    Arivazhagan M, Subhasini VP, Austine A.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Feb 25; 86():205-13. PubMed ID: 22074887
    [Abstract] [Full Text] [Related]

  • 29. DFT, FT-Raman, FT-IR, HOMO-LUMO and NBO studies of 4-Methylmorpholine.
    Balachandran V, Mahalakshmi G, Lakshmi A, Janaki A.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov 25; 97():1101-10. PubMed ID: 22929905
    [Abstract] [Full Text] [Related]

  • 30. Performance of Caesalpinia sappan heartwood extract as photo sensitizer for dye sensitized solar cells.
    Ananth S, Vivek P, Saravana Kumar G, Murugakoothan P.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb 25; 137():345-50. PubMed ID: 25233024
    [Abstract] [Full Text] [Related]

  • 31. 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 25; 82(1):444-55. PubMed ID: 21856218
    [Abstract] [Full Text] [Related]

  • 32. Fe(II)-Polypyridines as Chromophores in Dye-Sensitized Solar Cells: A Computational Perspective.
    Jakubikova E, Bowman DN.
    Acc Chem Res; 2015 May 19; 48(5):1441-9. PubMed ID: 25919490
    [Abstract] [Full Text] [Related]

  • 33. Identification of structural and spectral features of synthesized cyano-stilbene dye derivatives: a comparative experimental and DFT study.
    Karabacak M, Asiri AM, Al-Youbi AO, Qusti AH, Cinar M.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 May 19; 120():144-50. PubMed ID: 24177881
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  • 34. First-principles study of Carbz-PAHTDDT dye sensitizer and two Carbz-derived dyes for dye sensitized solar cells.
    Mohammadi N, Wang F.
    J Mol Model; 2014 Mar 19; 20(3):2177. PubMed ID: 24595721
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  • 35. 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 19; 96():226-41. PubMed ID: 22683558
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  • 36. A combined spectroscopic and TDDFT study of natural dyes extracted from fruit peels of Citrus reticulata and Musa acuminata for dye-sensitized solar cells.
    Prima EC, Hidayat NN, Yuliarto B, Suyatman, Dipojono HK.
    Spectrochim Acta A Mol Biomol Spectrosc; 2017 Jan 15; 171():112-125. PubMed ID: 27497289
    [Abstract] [Full Text] [Related]

  • 37. FT-IR, FT-Raman and UV-Vis spectra and DFT calculations of 3-cyano-4-methylcoumarin.
    Udaya Sri N, Chaitanya K, Prasad MV, Veeraiah V, Veeraiah A.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Nov 15; 97():728-36. PubMed ID: 22892370
    [Abstract] [Full Text] [Related]

  • 38. Anharmonic vibrational studies of L-aspartic acid using HF and DFT calculations.
    Alam MJ, Ahmad S.
    Spectrochim Acta A Mol Biomol Spectrosc; 2012 Oct 15; 96():992-1004. PubMed ID: 22939282
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  • 39. Structural features of the 2-amino-5-nitrobenzophenone by means of vibrational spectroscopy HF and DFT, first order hyperpolarizability, NBO, HOMO-LUMO and theromodynamic properties.
    Balachandran V, Santhi G, Karpagam V, Rastogi VK.
    Spectrochim Acta A Mol Biomol Spectrosc; 2014 Jan 24; 118():835-46. PubMed ID: 24152867
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  • 40. Dye-sensitized solar cell based on spray deposited ZnO thin film: performance analysis through DFT approach.
    Parthiban R, Balamurugan D, Jeyaprakash BG.
    Spectrochim Acta A Mol Biomol Spectrosc; 2015 Feb 05; 136 Pt B():986-92. PubMed ID: 25459624
    [Abstract] [Full Text] [Related]

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