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1031 related items for PubMed ID: 19226132

  • 1. Structures and properties of electronically excited chromophores in solution from the polarizable continuum model coupled to the time-dependent density functional theory.
    Mennucci B, Cappelli C, Guido CA, Cammi R, Tomasi J.
    J Phys Chem A; 2009 Apr 02; 113(13):3009-20. PubMed ID: 19226132
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  • 2. A state-specific polarizable continuum model time dependent density functional theory method for excited state calculations in solution.
    Improta R, Barone V, Scalmani G, Frisch MJ.
    J Chem Phys; 2006 Aug 07; 125(5):054103. PubMed ID: 16942199
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  • 3. The polarizability in solution of tetra-phenyl-porphyrin derivatives in their excited electronic states: a PCM/TD-DFT study.
    Improta R, Ferrante C, Bozio R, Barone V.
    Phys Chem Chem Phys; 2009 Jun 14; 11(22):4664-73. PubMed ID: 19475188
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  • 5. Time-dependent density functional theory study of Fe2(CO)9 low-lying electronic excited states.
    Bertini L, Greco C, De Gioia L, Fantucci P.
    J Phys Chem A; 2006 Nov 30; 110(47):12900-7. PubMed ID: 17125307
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  • 7. 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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  • 8. 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 20; 128(50):16312-22. PubMed ID: 17165786
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  • 9. 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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  • 10. Polarizable continuum model with the fragment molecular orbital-based time-dependent density functional theory.
    Chiba M, Fedorov DG, Kitaura K.
    J Comput Chem; 2008 Dec 21; 29(16):2667-76. PubMed ID: 18484637
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  • 11. Formation and relaxation of excited states in solution: a new time dependent polarizable continuum model based on time dependent density functional theory.
    Caricato M, Mennucci B, Tomasi J, Ingrosso F, Cammi R, Corni S, Scalmani G.
    J Chem Phys; 2006 Mar 28; 124(12):124520. PubMed ID: 16599710
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  • 12. Phenothiazine-anthraquinone donor-acceptor molecules: synthesis, electronic properties and DFT-TDDFT computational study.
    Zhang WW, Mao WL, Hu YX, Tian ZQ, Wang ZL, Meng QJ.
    J Phys Chem A; 2009 Sep 17; 113(37):9997-10004. PubMed ID: 19705823
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  • 14. Time-dependent density functional theory study on electronically excited States of coumarin 102 chromophore in aniline solvent: reconsideration of the electronic excited-state hydrogen-bonding dynamics.
    Liu Y, Ding J, Shi D, Sun J.
    J Phys Chem A; 2008 Jul 17; 112(28):6244-8. PubMed ID: 18572895
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  • 16. Comparison of frozen-density embedding and discrete reaction field solvent models for molecular properties.
    Jacob CR, Neugebauer J, Jensen L, Visscher L.
    Phys Chem Chem Phys; 2006 May 28; 8(20):2349-59. PubMed ID: 16710483
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