BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

221 related articles for article (PubMed ID: 20155959)

  • 1. TDDFT study of the optical properties of Cy5 and its derivatives.
    Bamgbelu A; Wang J; Leszczynski J
    J Phys Chem A; 2010 Mar; 114(10):3551-5. PubMed ID: 20155959
    [TBL] [Abstract][Full Text] [Related]  

  • 2. 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; 111(50):12901-13. PubMed ID: 18004829
    [TBL] [Abstract][Full Text] [Related]  

  • 3. QM/MM calculation of solvent effects on absorption spectra of guanine.
    Parac M; Doerr M; Marian CM; Thiel W
    J Comput Chem; 2010 Jan; 31(1):90-106. PubMed ID: 19412906
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Optical and photophysical properties of indolocarbazole derivatives.
    Belletête M; Blouin N; Boudreault PL; Leclerc M; Durocher G
    J Phys Chem A; 2006 Dec; 110(51):13696-704. PubMed ID: 17181323
    [TBL] [Abstract][Full Text] [Related]  

  • 5. 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; 109(31):6953-9. PubMed ID: 16834054
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Excited state proton transfer in guanine in the gas phase and in water solution: a theoretical study.
    Shukla MK; Leszczynski J
    J Phys Chem A; 2005 Sep; 109(34):7775-80. PubMed ID: 16834154
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Theoretical studies of the structural, electronic, and optical properties of phosphafluorenes.
    Yin J; Chen RF; Zhang SL; Ling QD; Huang W
    J Phys Chem A; 2010 Mar; 114(10):3655-67. PubMed ID: 20148545
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Influence of solvent polarity and hydrogen bonding on the electronic transition of coumarin 120: a TDDFT study.
    Zhao W; Pan L; Bian W; Wang J
    Chemphyschem; 2008 Aug; 9(11):1593-602. PubMed ID: 18615417
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Excited state properties of 7-hydroxy-4-methylcoumarin in the gas phase and in solution. A theoretical study.
    Georgieva I; Trendafilova N; Aquino A; Lischka H
    J Phys Chem A; 2005 Dec; 109(51):11860-9. PubMed ID: 16366637
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Theoretical study on the electronic structure and optical properties of carbazole-π-dimesitylborane as bipolar fluorophores for nondoped blue OLEDs.
    Zhang Y; Zhang LL; Wang RS; Pan XM
    J Mol Graph Model; 2012 Apr; 34():46-56. PubMed ID: 22306415
    [TBL] [Abstract][Full Text] [Related]  

  • 11. DFT/TD-DFT investigation of electronic structures and spectra properties of Cu-based dye sensitizers.
    Lu X; Wu CM; Wei S; Guo W
    J Phys Chem A; 2010 Jan; 114(2):1178-84. PubMed ID: 20000483
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Computational study of the one- and two-photon absorption and circular dichroism of (L)-tryptophan.
    Guillaume M; Ruud K; Rizzo A; Monti S; Lin Z; Xu X
    J Phys Chem B; 2010 May; 114(19):6500-12. PubMed ID: 20420407
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Electronic structure and UV spectrum of fenofibrate in solutions.
    Le Y; Chen JF; Pu M
    Int J Pharm; 2008 Jun; 358(1-2):214-8. PubMed ID: 18457931
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Absorption and fluorescence spectra of heterocyclic isomers from long-range-corrected density functional theory in polarizable continuum approach.
    Kityk AV
    J Phys Chem A; 2012 Mar; 116(11):3048-55. PubMed ID: 22356351
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Predictions of the electronic absorption and emission spectra of luciferin and oxyluciferins including solvation effects.
    Ren AM; Goddard JD
    J Photochem Photobiol B; 2005 Dec; 81(3):163-70. PubMed ID: 16169240
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Comparison of polarizable continuum model and quantum mechanics/molecular mechanics solute electronic polarization: study of the optical and magnetic properties of diazines in water.
    Manzoni V; Lyra ML; Coutinho K; Canuto S
    J Chem Phys; 2011 Oct; 135(14):144103. PubMed ID: 22010694
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Toward effective and reliable fluorescence energies in solution by a new state specific polarizable continuum model time dependent density functional theory approach.
    Improta R; Scalmani G; Frisch MJ; Barone V
    J Chem Phys; 2007 Aug; 127(7):074504. PubMed ID: 17718617
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Theoretical study of one- and two-photon absorption spectra of azoaromatic compounds.
    Silva DL; Krawczyk P; Bartkowiak W; Mendonça CR
    J Chem Phys; 2009 Dec; 131(24):244516. PubMed ID: 20059088
    [TBL] [Abstract][Full Text] [Related]  

  • 19. DFT/TDDFT studies on the electronic structures and spectral properties of rhenium(I) pyridinybenzoimidazole complexes.
    Li X; Liu X; Wu Z; Zhang H
    J Phys Chem A; 2008 Nov; 112(44):11190-7. PubMed ID: 18855370
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Theoretical study on photophysical properties of multifunctional electroluminescent molecules with different pi-conjugated bridges.
    Zou LY; Ren AM; Feng JK; Liu YL; Ran XQ; Sun CC
    J Phys Chem A; 2008 Nov; 112(47):12172-8. PubMed ID: 18959398
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 12.