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2022 related items for PubMed ID: 20358092

  • 21. Ab initio characterization of the conical intersections involved in the photochemistry of phenol.
    Vieuxmaire OP, Lan Z, Sobolewski AL, Domcke W.
    J Chem Phys; 2008 Dec 14; 129(22):224307. PubMed ID: 19071916
    [Abstract] [Full Text] [Related]

  • 22. Excited state hydrogen transfer dynamics in substituted phenols and their complexes with ammonia: ππ*-πσ* energy gap propensity and ortho-substitution effect.
    Pino GA, Oldani AN, Marceca E, Fujii M, Ishiuchi SI, Miyazaki M, Broquier M, Dedonder C, Jouvet C.
    J Chem Phys; 2010 Sep 28; 133(12):124313. PubMed ID: 20886938
    [Abstract] [Full Text] [Related]

  • 23. A resonance Raman spectroscopic and CASSCF investigation of the Franck-Condon region structural dynamics and conical intersections of thiophene.
    Wu XF, Zheng X, Wang HG, Zhao YY, Guan X, Phillips DL, Chen X, Fang W.
    J Chem Phys; 2010 Oct 07; 133(13):134507. PubMed ID: 20942546
    [Abstract] [Full Text] [Related]

  • 24. Exploring ultrafast H-atom elimination versus photofragmentation pathways in pyrazole following 200 nm excitation.
    Williams CA, Roberts GM, Yu H, Evans NL, Ullrich S, Stavros VG.
    J Phys Chem A; 2012 Mar 22; 116(11):2600-9. PubMed ID: 21806002
    [Abstract] [Full Text] [Related]

  • 25. New insight into the potential energy landscape and relaxation pathways of photoexcited aniline from CASSCF and XMCQDPT2 electronic structure calculations.
    Sala M, Kirkby OM, Guérin S, Fielding HH.
    Phys Chem Chem Phys; 2014 Feb 21; 16(7):3122-33. PubMed ID: 24402516
    [Abstract] [Full Text] [Related]

  • 26. Quantum mechanics/molecular mechanics studies on the excited-state decay mechanisms of cytidine aza-analogues: 5-azacytidine and 2'-deoxy-5-azacytidine in aqueous solution.
    Chang XP, Fan FR, Zhang TS, Xie BB.
    Phys Chem Chem Phys; 2023 Oct 04; 25(38):26258-26269. PubMed ID: 37743787
    [Abstract] [Full Text] [Related]

  • 27. Tunnelling under a conical intersection: application to the product vibrational state distributions in the UV photodissociation of phenols.
    Dixon RN, Oliver TA, Ashfold MN.
    J Chem Phys; 2011 May 21; 134(19):194303. PubMed ID: 21599055
    [Abstract] [Full Text] [Related]

  • 28. A CASSCF and CASPT2 study on the excited states of s-trans-formaldazine.
    Luo C, Duan XM, Liu JY, Li ZS.
    J Phys Chem A; 2008 Sep 25; 112(38):8979-85. PubMed ID: 18759422
    [Abstract] [Full Text] [Related]

  • 29. Multi-state nonadiabatic deactivation mechanism of coumarin revealed by ab initio on-the-fly trajectory surface hopping dynamic simulation.
    Gan Y, Yue L, Guo X, Zhu C, Cao Z.
    Phys Chem Chem Phys; 2017 May 17; 19(19):12094-12106. PubMed ID: 28443858
    [Abstract] [Full Text] [Related]

  • 30. Three-state conical intersections in nucleic acid bases.
    Matsika S.
    J Phys Chem A; 2005 Aug 25; 109(33):7538-45. PubMed ID: 16834123
    [Abstract] [Full Text] [Related]

  • 31. Quantum chemical investigation of the electronic spectra of the keto, enol, and keto-imine tautomers of cytosine.
    Tomić K, Tatchen J, Marian CM.
    J Phys Chem A; 2005 Sep 22; 109(37):8410-8. PubMed ID: 16834234
    [Abstract] [Full Text] [Related]

  • 32. Photophysics of a UV-B Filter 4-Methylbenzylidene Camphor: Intersystem Crossing Plays an Important Role.
    Fang YG, Li CX, Chang XP, Cui G.
    Chemphyschem; 2018 Mar 19; 19(6):744-752. PubMed ID: 29288547
    [Abstract] [Full Text] [Related]

  • 33. Photoprotection Mechanism of p-Methoxy Methylcinnamate: A CASPT2 Study.
    Chang XP, Li CX, Xie BB, Cui G.
    J Phys Chem A; 2015 Nov 25; 119(47):11488-97. PubMed ID: 26513466
    [Abstract] [Full Text] [Related]

  • 34. Comparison of the resonance-enhanced multiphoton ionization spectra of pyrrole and 2,5-dimethylpyrrole: Building toward an understanding of the electronic structure and photochemistry of porphyrins.
    Beames JM, Nix MG, Hudson AJ.
    J Chem Phys; 2009 Nov 07; 131(17):174305. PubMed ID: 19895010
    [Abstract] [Full Text] [Related]

  • 35. Substituent effects on dynamics at conical intersections: alpha,beta-enones.
    Lee AM, Coe JD, Ullrich S, Ho ML, Lee SJ, Cheng BM, Zgierski MZ, Chen IC, Martinez TJ, Stolow A.
    J Phys Chem A; 2007 Nov 29; 111(47):11948-60. PubMed ID: 17985850
    [Abstract] [Full Text] [Related]

  • 36.
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  • 37. Theoretical study on the singlet excited state of pterin and its deactivation pathway.
    Chen X, Xu X, Cao Z.
    J Phys Chem A; 2007 Sep 27; 111(38):9255-62. PubMed ID: 17629256
    [Abstract] [Full Text] [Related]

  • 38. UV excitation and radiationless deactivation of imidazole.
    Barbatti M, Lischka H, Salzmann S, Marian CM.
    J Chem Phys; 2009 Jan 21; 130(3):034305. PubMed ID: 19173519
    [Abstract] [Full Text] [Related]

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  • 40. On the mechanisms of triplet excited state population in 8-azaadenine.
    Gobbo JP, Borin AC.
    J Phys Chem B; 2012 Dec 06; 116(48):14000-7. PubMed ID: 23148644
    [Abstract] [Full Text] [Related]

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