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867 related items for PubMed ID: 19475168

  • 1. Absorption and fluorescence properties of oligothiophene biomarkers from long-range-corrected time-dependent density functional theory.
    Wong BM, Piacenza M, Della Sala F.
    Phys Chem Chem Phys; 2009 Jun 14; 11(22):4498-508. PubMed ID: 19475168
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  • 2. Coumarin dyes for dye-sensitized solar cells: A long-range-corrected density functional study.
    Wong BM, Cordaro JG.
    J Chem Phys; 2008 Dec 07; 129(21):214703. PubMed ID: 19063571
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  • 3. Excited state geometry optimizations by analytical energy gradient of long-range corrected time-dependent density functional theory.
    Chiba M, Tsuneda T, Hirao K.
    J Chem Phys; 2006 Apr 14; 124(14):144106. PubMed ID: 16626179
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  • 4. A long-range-corrected time-dependent density functional theory.
    Tawada Y, Tsuneda T, Yanagisawa S, Yanai T, Hirao K.
    J Chem Phys; 2004 May 08; 120(18):8425-33. PubMed ID: 15267767
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  • 5. Charge-transfer excited states in a pi-stacked adenine dimer, as predicted using long-range-corrected time-dependent density functional theory.
    Lange AW, Rohrdanz MA, Herbert JM.
    J Phys Chem B; 2008 May 22; 112(20):6304-8. PubMed ID: 18438995
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  • 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
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  • 11. Optical properties of N-succinimidyl bithiophene and the effects of the binding to biomolecules: comparison between coupled-cluster and time-dependent density functional theory calculations and experiments.
    Fabiano E, Della Sala F, Barbarella G, Lattante S, Anni M, Sotgiu G, Hättig C, Cingolani R, Gigli G.
    J Phys Chem B; 2006 Sep 21; 110(37):18651-60. PubMed ID: 16970495
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  • 14. Failure of time-dependent density functional theory for long-range charge-transfer excited states: the zincbacteriochlorin-bacteriochlorin and bacteriochlorophyll-spheroidene complexes.
    Dreuw A, Head-Gordon M.
    J Am Chem Soc; 2004 Mar 31; 126(12):4007-16. PubMed ID: 15038755
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  • 16. Insights into the ultraviolet spectrum of liquid water from model calculations.
    Cabral do Couto P, Chipman DM.
    J Chem Phys; 2010 Jun 28; 132(24):244307. PubMed ID: 20590193
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  • 19. Prediction of charge-transfer excitations in coumarin-based dyes using a range-separated functional tuned from first principles.
    Stein T, Kronik L, Baer R.
    J Chem Phys; 2009 Dec 28; 131(24):244119. PubMed ID: 20059066
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  • 20. Excited-state structure of oligothiophene dendrimers: computational and experimental study.
    Badaeva E, Harpham MR, Guda R, Süzer Ö, Ma CQ, Bäuerle P, Goodson T, Tretiak S.
    J Phys Chem B; 2010 Dec 09; 114(48):15808-17. PubMed ID: 21077602
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