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329 related items for PubMed ID: 26459226

  • 1. A CASSCF/CASPT2 insight into excited-state intramolecular proton transfer of four imidazole derivatives.
    Li Y, Wang L, Guo X, Zhang J.
    J Comput Chem; 2015 Dec 15; 36(32):2374-80. PubMed ID: 26459226
    [Abstract] [Full Text] [Related]

  • 2. Excited-state intramolecular proton transfer to carbon atoms: nonadiabatic surface-hopping dynamics simulations.
    Xia SH, Xie BB, Fang Q, Cui G, Thiel W.
    Phys Chem Chem Phys; 2015 Apr 21; 17(15):9687-97. PubMed ID: 25711992
    [Abstract] [Full Text] [Related]

  • 3. Quantum Mechanics/Molecular Mechanics Studies on the Photophysical Mechanism of Methyl Salicylate.
    Chang XP, Zhang TS, Fang YG, Cui G.
    J Phys Chem A; 2021 Mar 11; 125(9):1880-1891. PubMed ID: 33645980
    [Abstract] [Full Text] [Related]

  • 4. Mechanism of an Exceptional Class of photostabilizers: a seam of conical intersection parallel to excited state intramolecular proton transfer (ESIPT) in o-hydroxyphenyl-(1,3,5)-triazine.
    Paterson MJ, Robb MA, Blancafort L, DeBellis AD.
    J Phys Chem A; 2005 Aug 25; 109(33):7527-37. PubMed ID: 16834122
    [Abstract] [Full Text] [Related]

  • 5. Theoretical Studies on the Excited-State Decay Mechanism of Homomenthyl Salicylate in a Gas Phase and an Acetonitrile Solution.
    Chang XP, Zhang TS, Cui G.
    J Phys Chem A; 2022 Jan 13; 126(1):16-28. PubMed ID: 34963284
    [Abstract] [Full Text] [Related]

  • 6. Role of nitrogen substitution in phenyl ring on excited state intramolecular proton transfer and rotamerism of 2-(2'-hydroxyphenyl)benzimidazole: a theoretical study.
    Chipem FA, Dash N, Krishnamoorthy G.
    J Chem Phys; 2011 Mar 14; 134(10):104308. PubMed ID: 21405166
    [Abstract] [Full Text] [Related]

  • 7. Excited-State Intramolecular Proton Transfer in a Blue Fluorescence Chromophore Induces Dual Emission.
    Wu D, Guo WW, Liu XY, Cui G.
    Chemphyschem; 2016 Aug 04; 17(15):2340-7. PubMed ID: 27128380
    [Abstract] [Full Text] [Related]

  • 8. Deciphering the Mechanism of Aggregation-Induced Emission of a Quinazolinone Derivative Displaying Excited-State Intramolecular Proton-Transfer Properties: A QM, QM/MM, and MD Study.
    Wang H, Gong Q, Wang G, Dang J, Liu F.
    J Chem Theory Comput; 2019 Oct 08; 15(10):5440-5447. PubMed ID: 31436414
    [Abstract] [Full Text] [Related]

  • 9. Photodynamics of oxybenzone sunscreen: Nonadiabatic dynamics simulations.
    Li CX, Guo WW, Xie BB, Cui G.
    J Chem Phys; 2016 Aug 21; 145(7):074308. PubMed ID: 27544106
    [Abstract] [Full Text] [Related]

  • 10. Ab initio molecular dynamics of excited-state intramolecular proton transfer around a three-state conical intersection in malonaldehyde.
    Coe JD, Martínez TJ.
    J Phys Chem A; 2006 Jan 19; 110(2):618-30. PubMed ID: 16405334
    [Abstract] [Full Text] [Related]

  • 11. Photophysics of cytosine tautomers: new insights into the nonradiative decay mechanisms from MS-CASPT2 potential energy calculations and excited-state molecular dynamics simulations.
    Nakayama A, Harabuchi Y, Yamazaki S, Taketsugu T.
    Phys Chem Chem Phys; 2013 Aug 07; 15(29):12322-39. PubMed ID: 23779067
    [Abstract] [Full Text] [Related]

  • 12. Computational photochemistry of the azobenzene scaffold of Sudan I and Orange II dyes: excited-state proton transfer and deactivation via conical intersections.
    Guan PJ, Cui G, Fang Q.
    Chemphyschem; 2015 Mar 16; 16(4):805-11. PubMed ID: 25572608
    [Abstract] [Full Text] [Related]

  • 13. Excited State Proton Transfer and Deactivation Mechanism of 2-(4'-Amino-2'-hydroxyphenyl)-1H-imidazo-[4,5-c]pyridine and Its Analogues: A Theoretical Study.
    Omidyan R, Iravani M.
    J Phys Chem A; 2016 Feb 25; 120(7):1012-9. PubMed ID: 26811942
    [Abstract] [Full Text] [Related]

  • 14. Excited-state intramolecular proton transfer and charge transfer in 2-(2'-hydroxyphenyl)benzimidazole crystals studied by polymorphs-selected electronic spectroscopy.
    Konoshima H, Nagao S, Kiyota I, Amimoto K, Yamamoto N, Sekine M, Nakata M, Furukawa K, Sekiya H.
    Phys Chem Chem Phys; 2012 Dec 21; 14(47):16448-57. PubMed ID: 23132329
    [Abstract] [Full Text] [Related]

  • 15. Excited-state photochemistry dynamics of 2-(1-naphthyl) phenol: electronic structure calculations and non-adiabatic dynamics simulations.
    Wu J, Chen X, Xia SH, Cui G, Zhang Y.
    Phys Chem Chem Phys; 2022 Sep 14; 24(35):21358-21366. PubMed ID: 36043575
    [Abstract] [Full Text] [Related]

  • 16. Ab initio studies on the photophysics of guanine tautomers: out-of-plane deformation and NH dissociation pathways to conical intersections.
    Yamazaki S, Domcke W.
    J Phys Chem A; 2008 Jul 31; 112(30):7090-7. PubMed ID: 18613658
    [Abstract] [Full Text] [Related]

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  • 18. Comparative theoretical study of rotamerism and excited state intramolecular proton transfer of 2-(2'-hydroxyphenyl)benzimidazole, 2-(2'-hydroxyphenyl)imidazo[4,5-b]pyridine, 2-(2'-hydroxyphenyl)imidazo[4,5-c] pyridine and 8-(2'-hydroxyphenyl)purine.
    Chipem FA, Krishnamoorthy G.
    J Phys Chem A; 2009 Nov 05; 113(44):12063-70. PubMed ID: 19799387
    [Abstract] [Full Text] [Related]

  • 19. TD-DFT assessment of the excited state intramolecular proton transfer in hydroxyphenylbenzimidazole (HBI) dyes.
    Houari Y, Chibani S, Jacquemin D, Laurent AD.
    J Phys Chem B; 2015 Feb 12; 119(6):2180-92. PubMed ID: 25426781
    [Abstract] [Full Text] [Related]

  • 20. Ab initio molecular dynamics of excited-state intramolecular proton transfer using multireference perturbation theory.
    Coe JD, Levine BG, Martínez TJ.
    J Phys Chem A; 2007 Nov 08; 111(44):11302-10. PubMed ID: 17602455
    [Abstract] [Full Text] [Related]

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