These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

151 related articles for article (PubMed ID: 28467074)

  • 1. Characterization of the Photochemical Properties of 5-Benzyluracil via Time-Dependent Density Functional Theory.
    Micciarelli M; Curchod BFE; Bonella S; Altucci C; Valadan M; Rothlisberger U; Tavernelli I
    J Phys Chem A; 2017 May; 121(20):3909-3917. PubMed ID: 28467074
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Beyond Time-Dependent Density Functional Theory Using Only Single Excitations: Methods for Computational Studies of Excited States in Complex Systems.
    Herbert JM; Zhang X; Morrison AF; Liu J
    Acc Chem Res; 2016 May; 49(5):931-41. PubMed ID: 27100899
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Ab initio excited state properties and dynamics of a prototype sigma-bridged-donor-acceptor molecule.
    Tapavicza E; Tavernelli I; Rothlisberger U
    J Phys Chem A; 2009 Sep; 113(35):9595-602. PubMed ID: 19663389
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Comparison of LC-TDDFT and ADC(2) Methods in Computations of Bright and Charge Transfer States in Stacked Oligothiophenes.
    Li H; Nieman R; Aquino AJ; Lischka H; Tretiak S
    J Chem Theory Comput; 2014 Aug; 10(8):3280-9. PubMed ID: 26588297
    [TBL] [Abstract][Full Text] [Related]  

  • 5. 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]  

  • 6. Combined Density Functional and Algebraic-Diagrammatic Construction Approach for Accurate Excitation Energies and Transition Moments.
    Mester D; Kállay M
    J Chem Theory Comput; 2019 Aug; 15(8):4440-4453. PubMed ID: 31265275
    [TBL] [Abstract][Full Text] [Related]  

  • 7. High-level ab initio computations of the absorption spectra of organic iridium complexes.
    Plasser F; Dreuw A
    J Phys Chem A; 2015 Feb; 119(6):1023-36. PubMed ID: 25584785
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Double-hybrid density functional theory for excited electronic states of molecules.
    Grimme S; Neese F
    J Chem Phys; 2007 Oct; 127(15):154116. PubMed ID: 17949141
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Calculations of the light absorption spectra of porphyrinoid chromophores for dye-sensitized solar cells.
    Mera-Adasme R; Xu WH; Sundholm D; Mendizabal F
    Phys Chem Chem Phys; 2016 Oct; 18(40):27877-27884. PubMed ID: 27711639
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Excited-state absorption in tetrapyridyl porphyrins: comparing real-time and quadratic-response time-dependent density functional theory.
    Bowman DN; Asher JC; Fischer SA; Cramer CJ; Govind N
    Phys Chem Chem Phys; 2017 Oct; 19(40):27452-27462. PubMed ID: 28975162
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Testing Noncollinear Spin-Flip, Collinear Spin-Flip, and Conventional Time-Dependent Density Functional Theory for Predicting Electronic Excitation Energies of Closed-Shell Atoms.
    Xu X; Yang KR; Truhlar DG
    J Chem Theory Comput; 2014 May; 10(5):2070-84. PubMed ID: 26580534
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Calculations of nonlinear response properties using the intermediate state representation and the algebraic-diagrammatic construction polarization propagator approach: two-photon absorption spectra.
    Knippenberg S; Rehn DR; Wormit M; Starcke JH; Rusakova IL; Trofimov AB; Dreuw A
    J Chem Phys; 2012 Feb; 136(6):064107. PubMed ID: 22360169
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Photochemical deactivation process of HCFC-133a (C2H2F3Cl): a nonadiabatic dynamics study.
    Pereira Rodrigues G; Ventura E; do Monte SA; Barbatti M
    J Phys Chem A; 2014 Dec; 118(51):12041-9. PubMed ID: 25310281
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Theoretical investigation of the energies and geometries of photoexcited uranyl(VI) ion: a comparison between wave-function theory and density functional theory.
    Réal F; Vallet V; Marian C; Wahlgren U
    J Chem Phys; 2007 Dec; 127(21):214302. PubMed ID: 18067352
    [TBL] [Abstract][Full Text] [Related]  

  • 15. On the Performances of the M06 Family of Density Functionals for Electronic Excitation Energies.
    Jacquemin D; Perpète EA; Ciofini I; Adamo C; Valero R; Zhao Y; Truhlar DG
    J Chem Theory Comput; 2010 Jul; 6(7):2071-85. PubMed ID: 26615935
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Photophysics and photochemistry of a DNA-protein cross-linking model: a synergistic approach combining experiments and theory.
    Micciarelli M; Valadan M; Della Ventura B; Di Fabio G; De Napoli L; Bonella S; Röthlisberger U; Tavernelli I; Altucci C; Velotta R
    J Phys Chem B; 2014 May; 118(19):4983-92. PubMed ID: 24742276
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Investigation of the Electronic Excited-State Equilibrium Geometries of Three Molecules Undergoing ESIPT: A RI-CC2 and TDDFT Study.
    Louant O; Champagne B; Liégeois V
    J Phys Chem A; 2018 Feb; 122(4):972-984. PubMed ID: 29241012
    [TBL] [Abstract][Full Text] [Related]  

  • 18. 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; 11(22):4498-508. PubMed ID: 19475168
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Benchmarking the Approximate Second-Order Coupled-Cluster Method on Biochromophores.
    Send R; Kaila VR; Sundholm D
    J Chem Theory Comput; 2011 Aug; 7(8):2473-84. PubMed ID: 26606621
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Computation of accurate excitation energies for large organic molecules with double-hybrid density functionals.
    Goerigk L; Moellmann J; Grimme S
    Phys Chem Chem Phys; 2009 Jun; 11(22):4611-20. PubMed ID: 19475182
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.