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Journal Abstract Search

265 related items for PubMed ID: 20836526

  • 21. New insight into the gas-phase bimolecular self-reaction of the HOO radical.
    Anglada JM, Olivella S, Solé A.
    J Phys Chem A; 2007 Mar 08; 111(9):1695-704. PubMed ID: 17290977
    [Abstract] [Full Text] [Related]

  • 22. Triplet pathways in diarylethene photochromism: photophysical and computational study of dyads containing ruthenium(II) polypyridine and 1,2-bis(2-methylbenzothiophene-3-yl)maleimide units.
    Indelli MT, Carli S, Ghirotti M, Chiorboli C, Ravaglia M, Garavelli M, Scandola F.
    J Am Chem Soc; 2008 Jun 11; 130(23):7286-99. PubMed ID: 18479107
    [Abstract] [Full Text] [Related]

  • 23. The ground and two lowest-lying singlet excited electronic states of copper hydroxide (CuOH).
    Wang S, Paul A, DeYonker NJ, Yamaguchi Y, Schaefer HF.
    J Chem Phys; 2005 Jul 01; 123(1):014313. PubMed ID: 16035841
    [Abstract] [Full Text] [Related]

  • 24. Reactions of diborane with ammonia and ammonia borane: catalytic effects for multiple pathways for hydrogen release.
    Nguyen VS, Matus MH, Nguyen MT, Dixon DA.
    J Phys Chem A; 2008 Oct 09; 112(40):9946-54. PubMed ID: 18767778
    [Abstract] [Full Text] [Related]

  • 25. Mono- and dibridged isomers of Si2H3 and Si2H4: the true ground state global minima. Theory and experiment in concert.
    Sari L, McCarthy MC, Schaefer HF, Thaddeus P.
    J Am Chem Soc; 2003 Sep 17; 125(37):11409-17. PubMed ID: 16220964
    [Abstract] [Full Text] [Related]

  • 26. A benchmark theoretical study of the electronic ground state and of the singlet-triplet split of benzene and linear acenes.
    Hajgató B, Szieberth D, Geerlings P, De Proft F, Deleuze MS.
    J Chem Phys; 2009 Dec 14; 131(22):224321. PubMed ID: 20001050
    [Abstract] [Full Text] [Related]

  • 27. Theoretical study of low-lying triplet states of aniline.
    Hou XJ, Quan P, Höltzl T, Veszprémi T, Nguyen MT.
    J Phys Chem A; 2005 Nov 17; 109(45):10396-402. PubMed ID: 16833336
    [Abstract] [Full Text] [Related]

  • 28. DFT/TDDFT exploration of the potential energy surfaces of the ground state and excited states of Fe2(S2C3H6)(CO)6: a simple functional model of the [FeFe] hydrogenase active site.
    Bertini L, Greco C, De Gioia L, Fantucci P.
    J Phys Chem A; 2009 May 14; 113(19):5657-70. PubMed ID: 19378958
    [Abstract] [Full Text] [Related]

  • 29. The diazocarbene (CNN) molecule: characterization of the X 3Sigma- and A 3Pi electronic states.
    Yamaguchi Y, Schaefer HF.
    J Chem Phys; 2004 May 22; 120(20):9536-46. PubMed ID: 15267965
    [Abstract] [Full Text] [Related]

  • 30. Elementary constituents of microdevices: the Ge2H fragment.
    Wang H, Wang S, Yamaguchi Y, Schaefer HF.
    J Chem Phys; 2006 Oct 28; 125(16):164317. PubMed ID: 17092083
    [Abstract] [Full Text] [Related]

  • 31. Theoretical studies on low-lying electronic states of cyanocarbene HCCN and its ionic states.
    Zhao ZX, Zhang HX, Sun CC.
    J Phys Chem A; 2008 Nov 27; 112(47):12125-31. PubMed ID: 18959399
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  • 35. Quantum chemical characterization of the X((1)A'), a((3)A'') and A((1)A'') states of CHBr and CHI and computed heats of formation for CHI and CI.
    Bacskay GB.
    J Phys Chem A; 2010 Aug 26; 114(33):8625-30. PubMed ID: 20196612
    [Abstract] [Full Text] [Related]

  • 36. Mechanism of the hydration of carbon dioxide: direct participation of H2O versus microsolvation.
    Nguyen MT, Matus MH, Jackson VE, Vu TN, Rustad JR, Dixon DA.
    J Phys Chem A; 2008 Oct 16; 112(41):10386-98. PubMed ID: 18816037
    [Abstract] [Full Text] [Related]

  • 37. The singlet electronic ground state isomers of dialuminum monoxide: AlOAl, AlAlO, and the transition state connecting them.
    Turney JM, Sari L, Yamaguchi Y, Schaefer HF.
    J Chem Phys; 2005 Mar 01; 122(9):094304. PubMed ID: 15836125
    [Abstract] [Full Text] [Related]

  • 38. Cis-cis and trans-perp HOONO: action spectroscopy and isomerization kinetics.
    Fry JL, Nizkorodov SA, Okumura M, Roehl CM, Francisco JS, Wennberg PO.
    J Chem Phys; 2004 Jul 15; 121(3):1432-48. PubMed ID: 15260688
    [Abstract] [Full Text] [Related]

  • 39. Potential energy surfaces for rearrangements of Berson trimethylenemethanes.
    Bozkaya U, Ozkan I.
    J Phys Chem A; 2012 Mar 08; 116(9):2309-21. PubMed ID: 22316430
    [Abstract] [Full Text] [Related]

  • 40. Potential energy surface and quantum dynamics study of rovibrational states for HO(3) (X (2)A'').
    Braams BJ, Yu HG.
    Phys Chem Chem Phys; 2008 Jun 07; 10(21):3150-5. PubMed ID: 18688380
    [Abstract] [Full Text] [Related]

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