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Journal Abstract Search

312 related items for PubMed ID: 21620760

  • 1. Theoretical study of electronic structure and absorption spectra of diacid and zinc species of series of meso-phenylporphyrins.
    Zhang YH, Zhao LH, Ruan WJ, Xu Y.
    Spectrochim Acta A Mol Biomol Spectrosc; 2011 Sep; 79(5):1449-60. PubMed ID: 21620760
    [Abstract] [Full Text] [Related]

  • 2. Structural parameters and vibrational spectra of a series of zinc meso-phenylporphyrins: a DFT and experimental study.
    Zhang YH, Zhao W, Jiang P, Zhang LJ, Zhang T, Wang J.
    Spectrochim Acta A Mol Biomol Spectrosc; 2010 Feb; 75(2):880-90. PubMed ID: 20042362
    [Abstract] [Full Text] [Related]

  • 3. Effect of five membered versus six membered meso-substituents on structure and electronic properties of Mg(II) porphyrins: a combined experimental and theoretical study.
    Ghosh A, Mobin SM, Fröhlich R, Butcher RJ, Maity DK, Ravikanth M.
    Inorg Chem; 2010 Sep 20; 49(18):8287-97. PubMed ID: 20726516
    [Abstract] [Full Text] [Related]

  • 4. DFT/TD-DFT study of solvent effect as well the substituents influence on the different features of TPP derivatives for PDT application.
    Dulski M, Kempa M, Kozub P, Wójcik J, Rojkiewicz M, Kuś P, Szurko A, Ratuszna A, Wrzalik R.
    Spectrochim Acta A Mol Biomol Spectrosc; 2013 Mar 20; 104():315-27. PubMed ID: 23274259
    [Abstract] [Full Text] [Related]

  • 5. Spectroscopic and computational study of β-ethynylphenylene substituted zinc and free-base porphyrins.
    Earles JC, Gordon KC, Stephenson AW, Partridge AC, Officer DL.
    Phys Chem Chem Phys; 2011 Jan 28; 13(4):1597-605. PubMed ID: 21125110
    [Abstract] [Full Text] [Related]

  • 6. Influence of molecular geometry, exchange-correlation functional, and solvent effects in the modeling of vertical excitation energies in phthalocyanines using time-dependent density functional theory (TDDFT) and polarized continuum model TDDFT methods: can modern computational chemistry methods explain experimental controversies?
    Nemykin VN, Hadt RG, Belosludov RV, Mizuseki H, Kawazoe Y.
    J Phys Chem A; 2007 Dec 20; 111(50):12901-13. PubMed ID: 18004829
    [Abstract] [Full Text] [Related]

  • 7. Density functional theory studies on the Raman and IR spectra of meso-tetraphenylporphyrin diacid.
    Xu LC, Li ZY, Tan W, He TJ, Liu FC, Chen DM.
    Spectrochim Acta A Mol Biomol Spectrosc; 2005 Dec 20; 62(4-5):850-62. PubMed ID: 16303631
    [Abstract] [Full Text] [Related]

  • 8. A systematic theoretical study of the electronic structures of porphyrin dimers: DFT and TD-DFT calculations on diporphyrins linked by ethane, ethene, ethyne, imine, and azo bridges.
    Rintoul L, Harper SR, Arnold DP.
    Phys Chem Chem Phys; 2013 Nov 21; 15(43):18951-64. PubMed ID: 24097279
    [Abstract] [Full Text] [Related]

  • 9. Density functional theory studies on the structures and electronic communication of meso-ferrocenylporphyrins: long range orbital coupling via porphyrin core.
    Zhang L, Qi D, Zhang Y, Bian Y, Jiang J.
    J Mol Graph Model; 2011 Feb 21; 29(5):717-25. PubMed ID: 21216168
    [Abstract] [Full Text] [Related]

  • 10. Structurally homologous beta- and meso-alkynyl amidinium porphyrins.
    Rosenthal J, Young ER, Nocera DG.
    Inorg Chem; 2007 Oct 15; 46(21):8668-75. PubMed ID: 17854170
    [Abstract] [Full Text] [Related]

  • 11. Density functional theory studies on the electronic and vibrational spectra of octaethylporphyrin diacid.
    Li ZY, Wang HL, Lu TT, He TJ, Liu FC, Chen DM.
    Spectrochim Acta A Mol Biomol Spectrosc; 2007 Aug 15; 67(5):1382-91. PubMed ID: 17142087
    [Abstract] [Full Text] [Related]

  • 12. Toward panchromatic organic functional molecules: density functional theory study on the nature of the broad UV-Vis-NIR spectra of substituted tetra(azulene)porphyrins.
    Qi D, Zhang L, Jiang J.
    J Mol Graph Model; 2012 Sep 15; 38():304-13. PubMed ID: 23085169
    [Abstract] [Full Text] [Related]

  • 13. Density functional theory study of the inner hydrogen atom transfer in metal-free porphyrins: meso-substitutional effects.
    Zhang Y, Yao P, Cai X, Xu H, Zhang X, Jiang J.
    J Mol Graph Model; 2007 Jul 15; 26(1):319-26. PubMed ID: 17208023
    [Abstract] [Full Text] [Related]

  • 14. Sitting-Atop metallo-porphyrin complexes: experimental and theoretical investigations on such elusive species.
    De Luca G, Romeo A, Scolaro LM, Ricciardi G, Rosa A.
    Inorg Chem; 2009 Sep 07; 48(17):8493-507. PubMed ID: 19650629
    [Abstract] [Full Text] [Related]

  • 15. Electronic structures of azulene-fused porphyrins as seen by magnetic circular dichroism and TD-DFT calculations.
    Nakai K, Kurotobi K, Osuka A, Uchiyama M, Kobayashi N.
    J Inorg Biochem; 2008 Mar 07; 102(3):466-71. PubMed ID: 18180040
    [Abstract] [Full Text] [Related]

  • 16. Protonated N-confused porphyrin dimer: formation, structure, and guest binding.
    Chmielewski PJ, Siczek M, Szterenberg L.
    Inorg Chem; 2011 Jul 18; 50(14):6719-36. PubMed ID: 21692486
    [Abstract] [Full Text] [Related]

  • 17. Comparative electronic structures and UV-vis spectra of tribenzosubporphyrin, tribenzomonoazasubporphyrin, tribenzodiazasubporphyrin, and subphthalocyanine: insight from DFT and TDDFT calculations.
    Gao Y, Solntsev PV, Nemykin VN.
    J Mol Graph Model; 2012 Sep 18; 38():369-74. PubMed ID: 23085177
    [Abstract] [Full Text] [Related]

  • 18. Toward panchromatic organic functional molecules: density functional theory study on the electronic absorption spectra of substituted tetraanthracenylporphyrins.
    Qi D, Jiang J.
    J Phys Chem A; 2011 Dec 01; 115(47):13811-20. PubMed ID: 22029274
    [Abstract] [Full Text] [Related]

  • 19. Electrochemical, spectral, and computational studies of metalloporphyrin dimers formed by cation complexation of crown ether cavities.
    Chitta R, Rogers LM, Wanklyn A, Karr PA, Kahol PK, Zandler ME, D'Souza F.
    Inorg Chem; 2004 Nov 01; 43(22):6969-78. PubMed ID: 15500335
    [Abstract] [Full Text] [Related]

  • 20. Photophysical investigation of neutral and diprotonated free-base bis(arylethynyl)porphyrins.
    Goldberg PK, Pundsack TJ, Splan KE.
    J Phys Chem A; 2011 Sep 29; 115(38):10452-60. PubMed ID: 21793565
    [Abstract] [Full Text] [Related]

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