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500 related items for PubMed ID: 14735573

  • 1. Direct ab initio dynamics studies on the hydrogen-abstraction reactions of OH radicals with HOX (X = F, Cl, and Br).
    Wang L, Liu JY, Li ZS, Sun CC.
    J Comput Chem; 2004 Mar; 25(4):558-64. PubMed ID: 14735573
    [Abstract] [Full Text] [Related]

  • 2. DFT and ab initio dual-level direct dynamics studies on the reactions of fluorine atom with HOCl and HOBr.
    Wang L, Liu JY, Li ZS, Sun CC.
    J Phys Chem A; 2005 Oct 13; 109(40):9123-8. PubMed ID: 16332021
    [Abstract] [Full Text] [Related]

  • 3. Direct ab initio dynamics calculation of the reaction rates of CH3OCl with OH.
    He HQ, Liu JY, Li ZS, Sun CC.
    J Phys Chem A; 2005 Apr 14; 109(14):3235-40. PubMed ID: 16833653
    [Abstract] [Full Text] [Related]

  • 4. Theoretical dynamic studies on the reaction of CH3C(O)CH3-nFn with the hydroxyl radical and the chlorine atom.
    Ji YM, Wang L, Li ZS, Liu JY, Sun CC.
    Chemphyschem; 2006 Aug 11; 7(8):1741-9. PubMed ID: 16888748
    [Abstract] [Full Text] [Related]

  • 5. Ab initio direct dynamics studies on the reactions of chlorine atom with CH3-nFnCH2OH (n = 1-3).
    Wang Y, Liu JY, Li ZS.
    J Comput Chem; 2007 Dec 11; 28(16):2517-30. PubMed ID: 17786912
    [Abstract] [Full Text] [Related]

  • 6. A study of the hydrogen abstraction reactions of C2H radical with CH3CN, C2H5CN, and C3H7CN by dual-level generalized transition state theory.
    Zhao ZX, Liu JY, Wang L, Zhang HX, Hou CY, Sun CC.
    J Phys Chem A; 2008 Sep 11; 112(36):8455-63. PubMed ID: 18710195
    [Abstract] [Full Text] [Related]

  • 7. Kinetic mechanism of the hydrogen abstraction reactions of the chlorine atoms with CH3CF2Cl and CH3CFCl2: a dual level direct dynamics study.
    Ji YM, Zhao XL, Li ZS, Liu JY.
    J Comput Chem; 2007 Apr 15; 28(5):975-83. PubMed ID: 17269121
    [Abstract] [Full Text] [Related]

  • 8. Direct dynamics studies on hydrogen abstraction reactions of CH3CHFCH3 and CH3CH2CH2F with OH radicals.
    Wang Y, Liu JY, Yang L, Zhao XL, Ji YM, Li ZS.
    J Phys Chem A; 2007 Aug 16; 111(32):7761-70. PubMed ID: 17655205
    [Abstract] [Full Text] [Related]

  • 9. Dual-level direct dynamics studies for the reactions of dimethyl ether with hydrogen atom and methyl radical.
    Wu JY, Liu JY, Li ZS, Huang XR, Sun CC.
    J Comput Chem; 2003 Apr 15; 24(5):593-600. PubMed ID: 12632473
    [Abstract] [Full Text] [Related]

  • 10. Ab initio and kinetic calculations for the reactions of Cl with SiH(n)Cl(4-n) (n=1,2,3,4).
    Pei K, Li H.
    J Chem Phys; 2004 Oct 08; 121(14):6738-42. PubMed ID: 15473729
    [Abstract] [Full Text] [Related]

  • 11. Dual-level direct dynamics studies for the reactions of OH radical with bromine-substituted ethanes.
    Wang L, Liu JY, Gao H, Wan SQ, Li ZS.
    J Comput Chem; 2009 Mar 08; 30(4):611-20. PubMed ID: 18780354
    [Abstract] [Full Text] [Related]

  • 12. Dual-level direct dynamics studies on the reaction Cl + CHBr(2)Cl.
    Zhang H, Wu JY, Li ZS, Liu JY, Sheng L, Sun CC.
    J Comput Chem; 2005 Oct 08; 26(13):1421-6. PubMed ID: 16044433
    [Abstract] [Full Text] [Related]

  • 13. Theoretical studies of the reactions of CF3CHCLOCHF2/CF3CHFOCHF2 with OH radical and Cl atom and their product radicals with OH.
    Yang L, Liu JY, Wan SQ, Li ZS.
    J Comput Chem; 2009 Mar 08; 30(4):565-80. PubMed ID: 18780357
    [Abstract] [Full Text] [Related]

  • 14.
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  • 15. DFT and ab initio direct dynamics studies on the hydrogen abstraction reactions of chlorine atoms with CH(4-n)F(n) (n = 1-3).
    Xiao JF, Li ZS, Liu JY, Sheng L, Sun CC.
    J Comput Chem; 2002 Nov 30; 23(15):1456-65. PubMed ID: 12370947
    [Abstract] [Full Text] [Related]

  • 16.
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  • 17. On the kinetic mechanism of the hydrogen abstraction reactions of the hydroxyl radical with CH3CF2Cl and CH3CFCl2: a dual level direct dynamics study.
    Ji YM, Cao F, Gao H, Li X, Zhao C, Su C, Liu JY, Li ZS.
    J Comput Chem; 2010 Feb 30; 31(3):510-9. PubMed ID: 19530110
    [Abstract] [Full Text] [Related]

  • 18. Ab initio direct dynamics studies on the reaction of H atom with CH3CH2Cl.
    Sheng L, Li ZS, Liu JY, Xiao JF, Sun CC.
    J Comput Chem; 2004 Jan 15; 25(1):72-82. PubMed ID: 14634995
    [Abstract] [Full Text] [Related]

  • 19. Theoretical study on the OH + CH3NHCOOCH3 reaction.
    Zhang H, Zhang GL, Liu JY, Liu B, Yu XY, Li ZS.
    J Comput Chem; 2008 May 15; 29(7):1170-6. PubMed ID: 18074344
    [Abstract] [Full Text] [Related]

  • 20. Direct dynamics study of the hydrogen-abstraction reaction of 1,1,2,2,3-fluorinated propane with the hydroxyl radical.
    Gao H, Wang Y, Liu JY, Yang L, Li ZS, Sun CC.
    J Phys Chem A; 2008 May 08; 112(18):4176-85. PubMed ID: 18386852
    [Abstract] [Full Text] [Related]

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