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827 related items for PubMed ID: 19441782

  • 1. RRKM and ab initio investigation of the NH (X) oxidation by dioxygen.
    Talipov MR, Khursan SL, Safiullin RL.
    J Phys Chem A; 2009 Jun 11; 113(23):6468-76. PubMed ID: 19441782
    [Abstract] [Full Text] [Related]

  • 2. Formation of a Criegee intermediate in the low-temperature oxidation of dimethyl sulfoxide.
    Asatryan R, Bozzelli JW.
    Phys Chem Chem Phys; 2008 Apr 07; 10(13):1769-80. PubMed ID: 18350182
    [Abstract] [Full Text] [Related]

  • 3. Study of the C(3P) + OH(X2Pi) --> CO(a3Pi) + H(2S) reaction: fully global ab initio potential energy surfaces of the 12A'' and 14A'' excited states and non adiabatic couplings.
    Zanchet A, Bussery-Honvault B, Jorfi M, Honvault P.
    Phys Chem Chem Phys; 2009 Aug 07; 11(29):6182-91. PubMed ID: 19606328
    [Abstract] [Full Text] [Related]

  • 4. Gas-phase kinetics study of reaction of OH radical with CH3NHNH2 by second-order multireference perturbation theory.
    Sun H, Zhang P, Law CK.
    J Phys Chem A; 2012 May 31; 116(21):5045-56. PubMed ID: 22545789
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  • 5. Computational study of the reaction SH + O2.
    Zhou CR, Sendt K, Haynes BS.
    J Phys Chem A; 2009 Mar 26; 113(12):2975-81. PubMed ID: 19220039
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  • 6. A dual-level ab initio and hybrid density functional theory dynamics study on the unimolecular decomposition reaction C2H5O-->CH2O + CH3.
    Zhang Y, Zhang S, Li QS.
    J Comput Chem; 2004 Jan 30; 25(2):218-26. PubMed ID: 14648620
    [Abstract] [Full Text] [Related]

  • 7. Mechanistic and kinetic study of the O + CH2OH reaction.
    Hou H, Wang B.
    J Phys Chem A; 2005 Jun 02; 109(21):4796-803. PubMed ID: 16833823
    [Abstract] [Full Text] [Related]

  • 8. Theoretical study for the reaction of CH3OCl with Cl atom.
    He HQ, Liu JY, Li ZS, Sun CC.
    J Comput Chem; 2005 Apr 30; 26(6):642-50. PubMed ID: 15751108
    [Abstract] [Full Text] [Related]

  • 9. Ab initio energies and product branching ratios for the O+C3H6 reaction.
    DeBoer GD, Dodd JA.
    J Phys Chem A; 2007 Dec 20; 111(50):12977-84. PubMed ID: 17999472
    [Abstract] [Full Text] [Related]

  • 10. Computational studies on the ground and excited states of BrOOBr.
    Li Y, Vo CK.
    J Chem Phys; 2006 May 28; 124(20):204309. PubMed ID: 16774334
    [Abstract] [Full Text] [Related]

  • 11. Theoretical investigation of germane and germylene decomposition kinetics.
    Polino D, Barbato A, Cavallotti C.
    Phys Chem Chem Phys; 2010 Sep 21; 12(35):10622-32. PubMed ID: 20614070
    [Abstract] [Full Text] [Related]

  • 12. Ion-molecule rate constants and branching ratios for the reaction of N(3) (+)+O(2) from 120 to 1400 K.
    Popovic S, Midey AJ, Williams S, Fernandez AI, Viggiano AA, Zhang P, Morokuma K.
    J Chem Phys; 2004 Nov 15; 121(19):9481-8. PubMed ID: 15538869
    [Abstract] [Full Text] [Related]

  • 13. Ab initio kinetics for thermal decomposition of CH3N•NH2, cis-CH3NHN•H, trans-CH3NHN•H, and C•H2NNH2 radicals.
    Sun H, Zhang P, Law CK.
    J Phys Chem A; 2012 Aug 23; 116(33):8419-30. PubMed ID: 22813206
    [Abstract] [Full Text] [Related]

  • 14. Ab initio/density functional theory and multichannel RRKM study for the ClO + CH2O reaction.
    Tian Y, Wei WM, Tian ZM, Yang HY, He TJ, Liu FC, Chen DM.
    J Phys Chem A; 2006 Sep 28; 110(38):11145-50. PubMed ID: 16986849
    [Abstract] [Full Text] [Related]

  • 15. Ab initio kinetics for the unimolecular reaction C6H5OH --> CO + C5H6.
    Xu ZF, Lin MC.
    J Phys Chem A; 2006 Feb 02; 110(4):1672-7. PubMed ID: 16435831
    [Abstract] [Full Text] [Related]

  • 16. Theoretical prediction of the heats of formation of C2H5O* radicals derived from ethanol and of the kinetics of beta-C-C scission in the ethoxy radical.
    Matus MH, Nguyen MT, Dixon DA.
    J Phys Chem A; 2007 Jan 11; 111(1):113-26. PubMed ID: 17201394
    [Abstract] [Full Text] [Related]

  • 17. Understanding the rate of spin-forbidden thermolysis of HN3 and CH3N3.
    Besora M, Harvey JN.
    J Chem Phys; 2008 Jul 28; 129(4):044303. PubMed ID: 18681642
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  • 18. Quantum chemical study of the mechanism of reaction between NH (X 3sigma-) and H2, H2O, and CO2 under combustion conditions.
    Mackie JC, Bacskay GB.
    J Phys Chem A; 2005 Dec 29; 109(51):11967-74. PubMed ID: 16366650
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  • 19. Theoretical study of the C6H3 potential energy surface and rate constants and product branching ratios of the C2H(2Sigma+) + C4H2(1Sigma(g)+) and C4H(2Sigma+) + C2H2(1Sigma(g)+) reactions.
    Landera A, Krishtal SP, Kislov VV, Mebel AM, Kaiser RI.
    J Chem Phys; 2008 Jun 07; 128(21):214301. PubMed ID: 18537416
    [Abstract] [Full Text] [Related]

  • 20. Ab initio and direct dynamics studies of the reaction of singlet methylene with acetylene and the lifetime of the cyclopropene complex.
    Yu HG, Muckerman JT.
    J Phys Chem A; 2005 Mar 10; 109(9):1890-6. PubMed ID: 16833521
    [Abstract] [Full Text] [Related]

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