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 *

220 related articles for article (PubMed ID: 18464980)

  • 1. The excited states of pi-stacked 9-methyladenine oligomers: a TD-DFT study in aqueous solution.
    Improta R
    Phys Chem Chem Phys; 2008 May; 10(19):2656-64. PubMed ID: 18464980
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Can TD-DFT calculations accurately describe the excited states behavior of stacked nucleobases? The cytosine dimer as a test case.
    Santoro F; Barone V; Improta R
    J Comput Chem; 2008 Apr; 29(6):957-64. PubMed ID: 17963224
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Excited states decay of the A-T DNA: A PCM/TD-DFT study in aqueous solution of the (9-methyl-adenine)(2).(1-methyl-thymine)(2) stacked tetramer.
    Santoro F; Barone V; Improta R
    J Am Chem Soc; 2009 Oct; 131(42):15232-45. PubMed ID: 19803481
    [TBL] [Abstract][Full Text] [Related]  

  • 4. The excited electronic states of adenine-guanine stacked dimers in aqueous solution: a PCM/TD-DFT study.
    Santoro F; Barone V; Lami A; Improta R
    Phys Chem Chem Phys; 2010 May; 12(19):4934-48. PubMed ID: 20442950
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Vibronic model for the quantum dynamical study of the competition between bright and charge-transfer excited states in single-strand polynucleotides: the adenine dimer case.
    Improta R; Santoro F; Barone V; Lami A
    J Phys Chem A; 2009 Dec; 113(52):15346-54. PubMed ID: 19821596
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Both intra- and interstrand charge-transfer excited states in aqueous B-DNA are present at energies comparable to, or just above, the (1)pipi* excitonic bright states.
    Lange AW; Herbert JM
    J Am Chem Soc; 2009 Mar; 131(11):3913-22. PubMed ID: 19292489
    [TBL] [Abstract][Full Text] [Related]  

  • 7. New insights into the use of (TD-)DFT for geometries and electronic structures of constrained pi-stacked systems: [n.n]paracyclophanes.
    Kamya PR; Muchall HM
    J Phys Chem A; 2008 Dec; 112(51):13691-8. PubMed ID: 19055395
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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; 112(20):6304-8. PubMed ID: 18438995
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Quantum mechanical calculations unveil the structure and properties of the absorbing and emitting excited electronic states of guanine quadruplex.
    Improta R
    Chemistry; 2014 Jun; 20(26):8106-15. PubMed ID: 24828154
    [TBL] [Abstract][Full Text] [Related]  

  • 10. TD-DFT description of photoabsorption and electron transfer in a covalently bonded porphyrin-fullerene dyad.
    Cramariuc O; Hukka TI; Rantala TT; Lemmetyinen H
    J Phys Chem A; 2006 Nov; 110(45):12470-6. PubMed ID: 17091952
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Conformational effects on the lowest excited states of benzoyl-pyrrolopyridazine: insights from PCM time-dependent DFT.
    Maftei D; Zbancioc G; Humelnicu I; Mangalagiu I
    J Phys Chem A; 2013 Apr; 117(15):3165-75. PubMed ID: 23527600
    [TBL] [Abstract][Full Text] [Related]  

  • 12. The charge-transfer states in a stacked nucleobase dimer complex: a benchmark study.
    Aquino AJ; Nachtigallova D; Hobza P; Truhlar DG; Hättig C; Lischka H
    J Comput Chem; 2011 May; 32(7):1217-27. PubMed ID: 21425279
    [TBL] [Abstract][Full Text] [Related]  

  • 13. TD-CI simulation of the electronic optical response of molecules in intense fields II: comparison of DFT functionals and EOM-CCSD.
    Sonk JA; Schlegel HB
    J Phys Chem A; 2011 Oct; 115(42):11832-40. PubMed ID: 21923137
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Excited-state behavior of trans and cis isomers of stilbene and stiff stilbene: a TD-DFT study.
    Improta R; Santoro F
    J Phys Chem A; 2005 Nov; 109(44):10058-67. PubMed ID: 16838925
    [TBL] [Abstract][Full Text] [Related]  

  • 15. 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]  

  • 16. Nature of low-lying excited states in H-aggregated perylene bisimide dyes: results of TD-LRC-DFT and the mixed exciton model.
    Pan F; Gao F; Liang W; Zhao Y
    J Phys Chem B; 2009 Nov; 113(44):14581-7. PubMed ID: 19863136
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Theoretical study of the excitation of proflavine H-dimers in an aqueous solution: the effect of functionals and dispersion corrections.
    Savenko ES; Kostjukov VV
    Phys Chem Chem Phys; 2023 May; 25(17):12259-12276. PubMed ID: 37078602
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Multi-pathway excited state relaxation of adenine oligomers in aqueous solution: a joint theoretical and experimental study.
    Banyasz A; Gustavsson T; Onidas D; Changenet-Barret P; Markovitsi D; Improta R
    Chemistry; 2013 Mar; 19(11):3762-74. PubMed ID: 23335234
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Bright and dark excitons in semiconductor carbon nanotubes: insights from electronic structure calculations.
    Kilina S; Badaeva E; Piryatinski A; Tretiak S; Saxena A; Bishop AR
    Phys Chem Chem Phys; 2009 Jun; 11(21):4113-23. PubMed ID: 19458812
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Assessment of TD-DFT- and TD-HF-based approaches for the prediction of exciton coupling parameters, potential energy curves, and electronic characters of electronically excited aggregates.
    Liu W; Settels V; Harbach PH; Dreuw A; Fink RF; Engels B
    J Comput Chem; 2011 Jul; 32(9):1971-81. PubMed ID: 21484836
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 11.