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Journal Abstract Search

308 related items for PubMed ID: 19831445

  • 1. Nature of the lowest excited states of neutral polyenyl radicals and polyene radical cations.
    Starcke JH, Wormit M, Dreuw A.
    J Chem Phys; 2009 Oct 14; 131(14):144311. PubMed ID: 19831445
    [Abstract] [Full Text] [Related]

  • 2. The ground and excited states of polyenyl radicals C2n-1H2n + 1 (n = 2-13): a valence bond study.
    Luo Y, Song L, Wu W, Danovich D, Shaik S.
    Chemphyschem; 2004 Apr 19; 5(4):515-28. PubMed ID: 15139226
    [Abstract] [Full Text] [Related]

  • 3. Ab initio study of the excited singlet states of all-trans alpha,omega-diphenylpolyenes with one to seven polyene double bonds: Simulation of the spectral data within Franck-Condon approximation.
    Mizukami W, Kurashige Y, Ehara M, Yanai T, Itoh T.
    J Chem Phys; 2009 Nov 07; 131(17):174313. PubMed ID: 19895018
    [Abstract] [Full Text] [Related]

  • 4. Unrestricted algebraic diagrammatic construction scheme of second order for the calculation of excited states of medium-sized and large molecules.
    Starcke JH, Wormit M, Dreuw A.
    J Chem Phys; 2009 Jan 14; 130(2):024104. PubMed ID: 19154016
    [Abstract] [Full Text] [Related]

  • 5. Electronically excited and ionized states of the CH2CH2OH radical: a theoretical study.
    Karpichev B, Koziol L, Diri K, Reisler H, Krylov AI.
    J Chem Phys; 2010 Mar 21; 132(11):114308. PubMed ID: 20331298
    [Abstract] [Full Text] [Related]

  • 6. Theoretical investigation of ground and excited states of the methylene amidogene radical (H(2)CN).
    Eisfeld W.
    J Chem Phys; 2004 Apr 01; 120(13):6056-63. PubMed ID: 15267489
    [Abstract] [Full Text] [Related]

  • 7. Electronic spectra of H(2)C(2n)H+ radicals (n=2-6): an ab initio study.
    Jiang L, Wang C, Li J, Guo X, Zhang J.
    Spectrochim Acta A Mol Biomol Spectrosc; 2009 Dec 01; 74(5):1090-4. PubMed ID: 19828361
    [Abstract] [Full Text] [Related]

  • 8. Beyond vinyl: electronic structure of unsaturated propen-1-yl, propen-2-yl, 1-buten-2-yl, and trans-2-buten-2-yl hydrocarbon radicals.
    Koziol L, Levchenko SV, Krylov AI.
    J Phys Chem A; 2006 Mar 02; 110(8):2746-58. PubMed ID: 16494386
    [Abstract] [Full Text] [Related]

  • 9. Coupled cluster methods including triple excitations for excited states of radicals.
    Smith CE, King RA, Crawford TD.
    J Chem Phys; 2005 Feb 01; 122(5):54110. PubMed ID: 15740313
    [Abstract] [Full Text] [Related]

  • 10. Theoretical study of the lowest pi-->pi* excitation energies for neutral and doped polyenes.
    Ma H, Liu C, Jiang Y.
    J Chem Phys; 2005 Aug 22; 123(8):084303. PubMed ID: 16164287
    [Abstract] [Full Text] [Related]

  • 11. Ab initio study of the ionization of the DNA bases: ionization potentials and excited states of the cations.
    Cauët E, Dehareng D, Liévin J.
    J Phys Chem A; 2006 Jul 27; 110(29):9200-11. PubMed ID: 16854034
    [Abstract] [Full Text] [Related]

  • 12. Electronic spectra of heteroatom-containing isoelectronic carbon chains C(2n)S and C2(n)Cl+ (n=1-5).
    Zhang J, Wu W, Wang L, Cao Z.
    J Chem Phys; 2006 Mar 28; 124(12):124319. PubMed ID: 16599686
    [Abstract] [Full Text] [Related]

  • 13. A benchmark study of the vertical electronic spectra of the linear chain radicals C(2)H and C(4)H.
    Fortenberry RC, King RA, Stanton JF, Crawford TD.
    J Chem Phys; 2010 Apr 14; 132(14):144303. PubMed ID: 20405992
    [Abstract] [Full Text] [Related]

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  • 16. A new fragment-based approach for calculating electronic excitation energies of large systems.
    Ma Y, Liu Y, Ma H.
    J Chem Phys; 2012 Jan 14; 136(2):024113. PubMed ID: 22260570
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  • 19. Identification of an additional low-lying excited state of carotenoid radical cations.
    Amarie S, Arefe K, Starcke JH, Dreuw A, Wachtveitl J.
    J Phys Chem B; 2008 Nov 06; 112(44):14011-7. PubMed ID: 18842013
    [Abstract] [Full Text] [Related]

  • 20. On the electronically excited states of uracil.
    Epifanovsky E, Kowalski K, Fan PD, Valiev M, Matsika S, Krylov AI.
    J Phys Chem A; 2008 Oct 09; 112(40):9983-92. PubMed ID: 18771247
    [Abstract] [Full Text] [Related]

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