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 *

160 related articles for article (PubMed ID: 28753277)

  • 1. Theoretical S
    Coccia E; Varsano D; Guidoni L
    J Chem Theory Comput; 2017 Sep; 13(9):4357-4367. PubMed ID: 28753277
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Ab Initio Geometry and Bright Excitation of Carotenoids: Quantum Monte Carlo and Many Body Green's Function Theory Calculations on Peridinin.
    Coccia E; Varsano D; Guidoni L
    J Chem Theory Comput; 2014 Feb; 10(2):501-6. PubMed ID: 26580027
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Excited-State Geometry Optimization of Small Molecules with Many-Body Green's Functions Theory.
    Çaylak O; Baumeier B
    J Chem Theory Comput; 2021 Feb; 17(2):879-888. PubMed ID: 33399447
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Predictions of the geometries and fluorescence emission energies of oxyluciferins.
    Yang T; Goddard JD
    J Phys Chem A; 2007 May; 111(20):4489-97. PubMed ID: 17451230
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Structure and spectroscopy of oxyluciferin, the light emitter of the firefly bioluminescence.
    Naumov P; Ozawa Y; Ohkubo K; Fukuzumi S
    J Am Chem Soc; 2009 Aug; 131(32):11590-605. PubMed ID: 19722653
    [TBL] [Abstract][Full Text] [Related]  

  • 6. 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]  

  • 7. Distinguishing between keto-enol and acid-base forms of firefly oxyluciferin through calculation of excited-state equilibrium constants.
    Falklöf O; Durbeej B
    J Comput Chem; 2014 Nov; 35(30):2184-94. PubMed ID: 25226816
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Modeling the Excited States of Biological Chromophores within Many-Body Green's Function Theory.
    Ma Y; Rohlfing M; Molteni C
    J Chem Theory Comput; 2010 Jan; 6(1):257-65. PubMed ID: 26614336
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Excited electronic state calculations by the transcorrelated variational Monte Carlo method: application to a helium atom.
    Umezawa N; Tsuneyuki S
    J Chem Phys; 2004 Oct; 121(15):7070-5. PubMed ID: 15473772
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Quantum chemical investigation of the electronic spectra of the keto, enol, and keto-imine tautomers of cytosine.
    Tomić K; Tatchen J; Marian CM
    J Phys Chem A; 2005 Sep; 109(37):8410-8. PubMed ID: 16834234
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Ground- and Excited-State Geometry Optimization of Small Organic Molecules with Quantum Monte Carlo.
    Guareschi R; Filippi C
    J Chem Theory Comput; 2013 Dec; 9(12):5513-25. PubMed ID: 26592286
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Modeling photoabsorption of the asFP595 chromophore.
    Bravaya KB; Bochenkova AV; Granovsky AA; Savitsky AP; Nemukhin AV
    J Phys Chem A; 2008 Sep; 112(37):8804-10. PubMed ID: 18729441
    [TBL] [Abstract][Full Text] [Related]  

  • 13. 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]  

  • 14. Excited-state intramolecular proton transfer to carbon atoms: nonadiabatic surface-hopping dynamics simulations.
    Xia SH; Xie BB; Fang Q; Cui G; Thiel W
    Phys Chem Chem Phys; 2015 Apr; 17(15):9687-97. PubMed ID: 25711992
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Vertical and adiabatic excitations in anthracene from quantum Monte Carlo: Constrained energy minimization for structural and electronic excited-state properties in the JAGP ansatz.
    Dupuy N; Bouaouli S; Mauri F; Sorella S; Casula M
    J Chem Phys; 2015 Jun; 142(21):214109. PubMed ID: 26049481
    [TBL] [Abstract][Full Text] [Related]  

  • 16. 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]  

  • 17. 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]  

  • 18. Spectral-structural effects of the keto-enol-enolate and phenol-phenolate equilibria of oxyluciferin.
    Naumov P; Kochunnoonny M
    J Am Chem Soc; 2010 Aug; 132(33):11566-79. PubMed ID: 20715859
    [TBL] [Abstract][Full Text] [Related]  

  • 19. 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]  

  • 20. Bis-μ-oxo and μ-η2:η2-peroxo dicopper complexes studied within (time-dependent) density-functional and many-body perturbation theory.
    Rohrmüller M; Herres-Pawlis S; Witte M; Schmidt WG
    J Comput Chem; 2013 May; 34(12):1035-45. PubMed ID: 23299568
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.