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248 related items for PubMed ID: 21216168

  • 1. 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; 29(5):717-25. PubMed ID: 21216168
    [Abstract] [Full Text] [Related]

  • 2. Communication: Systematic shifts of the lowest unoccupied molecular orbital peak in x-ray absorption for a series of 3d metal porphyrins.
    García-Lastra JM, Cook PL, Himpsel FJ, Rubio A.
    J Chem Phys; 2010 Oct 21; 133(15):151103. PubMed ID: 20969361
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  • 3. Metal-porphyrin orbital interactions in highly saddled low-spin iron(III) porphyrin complexes.
    Ohgo Y, Hoshino A, Okamura T, Uekusa H, Hashizume D, Ikezaki A, Nakamura M.
    Inorg Chem; 2007 Oct 01; 46(20):8193-207. PubMed ID: 17725347
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  • 5. Long-range electronic communication in free-base meso-poly(ferrocenyl)-containing porphyrins.
    Nemykin VN, Rohde GT, Barrett CD, Hadt RG, Sabin JR, Reina G, Galloni P, Floris B.
    Inorg Chem; 2010 Aug 16; 49(16):7497-509. PubMed ID: 20690759
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  • 6. 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 16; 79(5):1449-60. PubMed ID: 21620760
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  • 7. Synthesis, characterization, and electron-transfer processes in indium ferrocenyl-containing porphyrins and their fullerene adducts.
    Dammer SJ, Solntsev PV, Sabin JR, Nemykin VN.
    Inorg Chem; 2013 Aug 19; 52(16):9496-510. PubMed ID: 23919915
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  • 8. 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 19; 26(1):319-26. PubMed ID: 17208023
    [Abstract] [Full Text] [Related]

  • 9. 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
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  • 10. 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
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  • 11. Interpretation of the UV-vis spectra of the meso(ferrocenyl)-containing porphyrins using a TDDFT approach: is Gouterman's classic four-orbital model still in play?
    Nemykin VN, Hadt RG.
    J Phys Chem A; 2010 Nov 18; 114(45):12062-6. PubMed ID: 20979401
    [Abstract] [Full Text] [Related]

  • 12. 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 18; 102(3):466-71. PubMed ID: 18180040
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  • 15. One- and two-photon absorptions in asymmetrically substituted free-base porphyrins: a density functional theory study.
    Chandra Jha P, Minaev B, Agren H.
    J Chem Phys; 2008 Feb 21; 128(7):074302. PubMed ID: 18298144
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  • 16. Structure, spectroscopy, and reactivity properties of porphyrin pincers: a conceptual density functional theory and time-dependent density functional theory study.
    Huang Y, Zhong A, Rong C, Xiao X, Liu S.
    J Phys Chem A; 2008 Jan 17; 112(2):305-11. PubMed ID: 18092767
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  • 17. Effects of carbon-metal-carbon linkages on the optical, photophysical, and electrochemical properties of phosphametallacycle-linked coplanar porphyrin dimers.
    Matano Y, Matsumoto K, Hayashi H, Nakao Y, Kumpulainen T, Chukharev V, Tkachenko NV, Lemmetyinen H, Shimizu S, Kobayashi N, Sakamaki D, Ito A, Tanaka K, Imahori H.
    J Am Chem Soc; 2012 Jan 25; 134(3):1825-39. PubMed ID: 22148321
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  • 18. Influence of mixed substituents on the macrocyclic ring distortions of free base porphyrins and their metal complexes.
    Bhyrappa P, Arunkumar C, Varghese B.
    Inorg Chem; 2009 May 04; 48(9):3954-65. PubMed ID: 19334709
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  • 19. Tricationic pyridium porphyrins appending different peripheral substituents: experimental and DFT studies on their interactions with DNA.
    Zhao P, Xu LC, Huang JW, Zheng KC, Fu B, Yu HC, Ji LN.
    Biophys Chem; 2008 Jun 04; 135(1-3):102-9. PubMed ID: 18448231
    [Abstract] [Full Text] [Related]

  • 20. Oxophlorin and metallooxophlorin radicals--DFT studies.
    Szterenberg L, Latos-Grazyński L, Wojaczyński J.
    Chemphyschem; 2002 Jul 02; 3(7):575-83. PubMed ID: 12503158
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