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483 related items for PubMed ID: 19754093

  • 21. Electronic and vibronic contributions to two-photon absorption in donor-acceptor-donor squaraine chromophores.
    Ohira S, Rudra I, Schmidt K, Barlow S, Chung SJ, Zhang Q, Matichak J, Marder SR, Brédas JL.
    Chemistry; 2008; 14(35):11082-91. PubMed ID: 18972462
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  • 23. A study of the ground and excited states of Al3 and Al3(-). II. Computational analysis of the 488 nm anion photoelectron spectrum and a reconsideration of the Al3 bond dissociation energy.
    Miller SR, Schultz NE, Truhlar DG, Leopold DG.
    J Chem Phys; 2009 Jan 14; 130(2):024304. PubMed ID: 19154025
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  • 24. Conical intersections involving the dissociative 1pisigma* state in 9H-adenine: a quantum chemical ab initio study.
    Credo Chung W, Lan Z, Ohtsuki Y, Shimakura N, Domcke W, Fujimura Y.
    Phys Chem Chem Phys; 2007 May 07; 9(17):2075-84. PubMed ID: 17464388
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  • 28. The guanine tautomer puzzle: quantum chemical investigation of ground and excited states.
    Marian CM.
    J Phys Chem A; 2007 Mar 01; 111(8):1545-53. PubMed ID: 17274608
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  • 29. 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 24; 112(29):6533-49. PubMed ID: 18593108
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  • 33. An experimental and theoretical study of the S(1)<--S0 transition of p-ethynyltoluene.
    Philis JG, Melissas VS.
    J Chem Phys; 2007 Nov 28; 127(20):204310. PubMed ID: 18052430
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  • 35. High-resolution and dispersed fluorescence examination of vibronic bands of tryptamine: spectroscopic signatures for L(a)/L(b) mixing near a conical intersection.
    Böhm M, Tatchen J, Krügler D, Kleinermanns K, Nix MG, LeGreve TA, Zwier TS, Schmitt M.
    J Phys Chem A; 2009 Mar 19; 113(11):2456-66. PubMed ID: 19231889
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  • 38. 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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  • 39. CASSCF and CASPT2 studies on the structures, transition energies, and dipole moments of ground and excited states for azulene.
    Murakami A, Kobayashi T, Goldberg A, Nakamura S.
    J Chem Phys; 2004 Jan 15; 120(3):1245-52. PubMed ID: 15268250
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  • 40. The electronic spectrum of the fluoroborane free radical. I. Theoretical calculation of the vibronic energy levels of the ground and first excited electronic states.
    Sunahori FX, Clouthier DJ, Carter S, Tarroni R.
    J Chem Phys; 2009 Apr 28; 130(16):164309. PubMed ID: 19405581
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