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PUBMED FOR HANDHELDS

Journal Abstract Search


551 related items for PubMed ID: 23461546

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  • 3. Importance of polarization in quantum mechanics/molecular mechanics descriptions of electronic excited states: NaI(H2O)n photodissociation dynamics as a case study.
    Koch DM, Peslherbe GH.
    J Phys Chem B; 2008 Jan 17; 112(2):636-49. PubMed ID: 18183959
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  • 11. Solvatochromic shift of phenol blue in water from a combined Car-Parrinello molecular dynamics hybrid quantum mechanics-molecular mechanics and ZINDO approach.
    Murugan NA, Jha PC, Rinkevicius Z, Ruud K, Agren H.
    J Chem Phys; 2010 Jun 21; 132(23):234508. PubMed ID: 20572722
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  • 12. Absorption and emission spectral shapes of a prototype dye in water by combining classical/dynamical and quantum/static approaches.
    Petrone A, Cerezo J, Ferrer FJ, Donati G, Improta R, Rega N, Santoro F.
    J Phys Chem A; 2015 May 28; 119(21):5426-38. PubMed ID: 25699575
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  • 13. Quantum chemistry behind bioimaging: insights from ab initio studies of fluorescent proteins and their chromophores.
    Bravaya KB, Grigorenko BL, Nemukhin AV, Krylov AI.
    Acc Chem Res; 2012 Feb 21; 45(2):265-75. PubMed ID: 21882809
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  • 17. Polarizable QM/MM Multiconfiguration Self-Consistent Field Approach with State-Specific Corrections: Environment Effects on Cytosine Absorption Spectrum.
    Li Q, Mennucci B, Robb MA, Blancafort L, Curutchet C.
    J Chem Theory Comput; 2015 Apr 14; 11(4):1674-82. PubMed ID: 26574377
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  • 18. Combining ab initio quantum mechanics with a dipole-field model to describe acid dissociation reactions in water: first-principles free energy and entropy calculations.
    Maurer P, Iftimie R.
    J Chem Phys; 2010 Feb 21; 132(7):074112. PubMed ID: 20170220
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  • 19. Ultrafast photoinduced dynamics of the 3,6-diaminoacridinium derivative ATTO 465 in solution.
    Arden-Jacob J, Drexhage KH, Druzhinin SI, Ekimova M, Flender O, Lenzer T, Oum K, Scholz M.
    Phys Chem Chem Phys; 2013 Feb 14; 15(6):1844-53. PubMed ID: 23247684
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