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190 related items for PubMed ID: 15839725

  • 1. A first principles calculations and experimental study of the ground- and excited-state properties of ladder oligo(p-aniline)s.
    Belletête M, Durocher G, Hamel S, Côte M, Wakim S, Leclerc M.
    J Chem Phys; 2005 Mar 08; 122(10):104303. PubMed ID: 15839725
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  • 2. A theoretical, spectroscopic, and photophysical study of 2,7-carbazolenevinylene-based conjugated derivatives.
    Belletête M, Morin JF, Leclerc M, Durocher G.
    J Phys Chem A; 2005 Aug 11; 109(31):6953-9. PubMed ID: 16834054
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  • 4. 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
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  • 6. A density functional theory (DFT) and time-dependent density functional theory (TDDFT) study on optical transitions in oligo(p-phenylenevinylene)-fullerene dyads and the applicability to resonant energy transfer.
    Toivonen TL, Hukka TI.
    J Phys Chem A; 2007 Jun 07; 111(22):4821-8. PubMed ID: 17477511
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  • 8. First- and second-order polarizabilities of simple merocyanines. An experimental and theoretical reassessment of the two-level model.
    Momicchioli F, Ponterini G, Vanossi D.
    J Phys Chem A; 2008 Nov 20; 112(46):11861-72. PubMed ID: 18942806
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  • 12. Electronic transitions involved in the absorption spectrum and dual luminescence of tetranuclear cubane [Cu4I4(pyridine)4] cluster: a density functional theory/time-dependent density functional theory investigation.
    De Angelis F, Fantacci S, Sgamellotti A, Cariati E, Ugo R, Ford PC.
    Inorg Chem; 2006 Dec 25; 45(26):10576-84. PubMed ID: 17173412
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  • 13. Density functional calculations of the vibronic structure of electronic absorption spectra.
    Dierksen M, Grimme S.
    J Chem Phys; 2004 Feb 22; 120(8):3544-54. PubMed ID: 15268516
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  • 15. Vibronic effects in the 1(1)B(u)(1(1)B(2)) excited singlet states of oligothiophenes. fluorescence study of the 1(1)A(g)(1(1)A(1)) <-- 1(1)B(u)(1(1)B(2)) transition in terms of DFT, TDDFT, and CASSCF methods.
    Andrzejak M, Pawlikowski MT.
    J Phys Chem A; 2008 Dec 25; 112(51):13737-44. PubMed ID: 19053502
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  • 16. A computational study of the ground and excited state structure and absorption spectra of free-base N-confused porphine and free-base N-confused tetraphenylporphyrin.
    Vyas S, Hadad CM, Modarelli DA.
    J Phys Chem A; 2008 Jul 24; 112(29):6533-49. PubMed ID: 18593108
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