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 *

116 related articles for article (PubMed ID: 33529532)

  • 1. Excited-State Absorption of Uracil in the Gas Phase: Mapping the Main Decay Paths by Different Electronic Structure Methods.
    Fedotov DA; Paul AC; Posocco P; Santoro F; Garavelli M; Koch H; Coriani S; Improta R
    J Chem Theory Comput; 2021 Mar; 17(3):1638-1652. PubMed ID: 33529532
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Excited state absorption of DNA bases in the gas phase and in chloroform solution: a comparative quantum mechanical study.
    Fedotov DA; Paul AC; Koch H; Santoro F; Coriani S; Improta R
    Phys Chem Chem Phys; 2022 Feb; 24(8):4987-5000. PubMed ID: 35142309
    [TBL] [Abstract][Full Text] [Related]  

  • 3. 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; 112(29):6533-49. PubMed ID: 18593108
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Quantum dynamics of the ππ*/nπ* decay of the epigenetic nucleobase 1,5-dimethyl-cytosine in the gas phase.
    Yaghoubi Jouybari M; Liu Y; Improta R; Santoro F
    Phys Chem Chem Phys; 2020 Nov; 22(45):26525-26535. PubMed ID: 33188675
    [TBL] [Abstract][Full Text] [Related]  

  • 5. First-principles characterization of the singlet excited state manifold in DNA/RNA nucleobases.
    Jaiswal VK; Segarra-Martí J; Marazzi M; Zvereva E; Assfeld X; Monari A; Garavelli M; Rivalta I
    Phys Chem Chem Phys; 2020 Jul; 22(27):15496-15508. PubMed ID: 32602504
    [TBL] [Abstract][Full Text] [Related]  

  • 6. The decay from the dark npi* excited state in uracil: an integrated CASPT2/CASSCF and PCM/TD-DFT study in the gas phase and in water.
    Mercier Y; Santoro F; Reguero M; Improta R
    J Phys Chem B; 2008 Sep; 112(35):10769-72. PubMed ID: 18700794
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Excited-state deactivation pathways in uracil versus hydrated uracil: solvatochromatic shift in the (1)nπ* state is the key.
    Zhang X; Herbert JM
    J Phys Chem B; 2014 Jul; 118(28):7806-17. PubMed ID: 24428679
    [TBL] [Abstract][Full Text] [Related]  

  • 8. The peculiar spectral properties of amino-substituted uracils: a combined theoretical and experimental study.
    Bányász A; Karpati S; Mercier Y; Reguero M; Gustavsson T; Markovitsi D; Improta R
    J Phys Chem B; 2010 Oct; 114(39):12708-19. PubMed ID: 20831146
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Intramolecular vibrational redistribution in the non-radiative excited state decay of uracil in the gas phase: an ab initio molecular dynamics study.
    Carbonniere P; Pouchan C; Improta R
    Phys Chem Chem Phys; 2015 May; 17(17):11615-26. PubMed ID: 25866850
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Excited states behavior of nucleobases in solution: insights from computational studies.
    Improta R; Barone V
    Top Curr Chem; 2015; 355():329-57. PubMed ID: 24647839
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Simulation of circularly polarized luminescence spectra using coupled cluster theory.
    McAlexander HR; Crawford TD
    J Chem Phys; 2015 Apr; 142(15):154101. PubMed ID: 25903860
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Excitation of nucleobases from a computational perspective I: reaction paths.
    Giussani A; Segarra-Martí J; Roca-Sanjuán D; Merchán M
    Top Curr Chem; 2015; 355():57-97. PubMed ID: 24264958
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Solvent effect on the singlet excited-state lifetimes of nucleic acid bases: A computational study of 5-fluorouracil and uracil in acetonitrile and water.
    Santoro F; Barone V; Gustavsson T; Improta R
    J Am Chem Soc; 2006 Dec; 128(50):16312-22. PubMed ID: 17165786
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Nonadiabatic Absorption Spectra and Ultrafast Dynamics of DNA and RNA Photoexcited Nucleobases.
    Green JA; Jouybari MY; Aranda D; Improta R; Santoro F
    Molecules; 2021 Mar; 26(6):. PubMed ID: 33804640
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Ultrafast Dynamics of the Two Lowest Bright Excited States of Cytosine and 1-Methylcytosine: A Quantum Dynamical Study.
    Yaghoubi Jouybari M; Liu Y; Improta R; Santoro F
    J Chem Theory Comput; 2020 Sep; 16(9):5792-5808. PubMed ID: 32687360
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Benchmarking TD-DFT and Wave Function Methods for Oscillator Strengths and Excited-State Dipole Moments.
    Sarkar R; Boggio-Pasqua M; Loos PF; Jacquemin D
    J Chem Theory Comput; 2021 Feb; 17(2):1117-1132. PubMed ID: 33492950
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Theoretical Assessment of Excited State Gradients and Resonance Raman Intensities for the Azobenzene Molecule.
    Staniszewska M; Kupfer S; Łabuda M; Guthmuller J
    J Chem Theory Comput; 2017 Mar; 13(3):1263-1274. PubMed ID: 28118003
    [TBL] [Abstract][Full Text] [Related]  

  • 18. A multi-scale time-resolved study of photoactivated dynamics in 5-benzyl uracil, a model for DNA/protein interactions.
    Valadan M; Pomarico E; Della Ventura B; Gesuele F; Velotta R; Amoresano A; Pinto G; Chergui M; Improta R; Altucci C
    Phys Chem Chem Phys; 2019 Dec; 21(48):26301-26310. PubMed ID: 31686060
    [TBL] [Abstract][Full Text] [Related]  

  • 19. On the origin of the ultrafast internal conversion of electronically excited pyrimidine bases.
    Zgierski MZ; Patchkovskii S; Fujiwara T; Lim EC
    J Phys Chem A; 2005 Oct; 109(42):9384-7. PubMed ID: 16866385
    [TBL] [Abstract][Full Text] [Related]  

  • 20. The methyl- and aza-substituent effects on nonradiative decay mechanisms of uracil in water: a transient absorption study in the UV region.
    Hua X; Hua L; Liu X
    Phys Chem Chem Phys; 2016 May; 18(20):13904-11. PubMed ID: 27146962
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.