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462 related items for PubMed ID: 17269121

  • 21. Theoretical study of the reactions CF3CH2OCHF2 + OH/Cl and its product radicals and parent ether(CH3CH2OCH3) with OH.
    Yang L, Liu JY, Wang L, He HQ, Wang Y, Li ZS.
    J Comput Chem; 2008 Mar; 29(4):550-61. PubMed ID: 17705163
    [Abstract] [Full Text] [Related]

  • 22. Theoretical study and rate constant calculation for the reactions of SH (SD) with Cl2, Br2, and BrCl.
    Wang L, Liu JY, Li ZS, Sun CC.
    J Comput Chem; 2005 Jan 30; 26(2):184-93. PubMed ID: 15593347
    [Abstract] [Full Text] [Related]

  • 23. Theoretical investigation of the reactions of CF(3)CHFOCF(3) with the OH radical and Cl atom.
    Jia X, Liu Y, Sun J, Sun H, Su Z, Pan X, Wang R.
    J Phys Chem A; 2010 Jan 14; 114(1):417-24. PubMed ID: 19950919
    [Abstract] [Full Text] [Related]

  • 24. Theoretical studies on the mechanisms and dynamics of OH radicals with CH(2)FCF(2)OCHF(2) and CH(2)FOCH(2)F.
    Song G, Jia X, Gao Y, Luo J, Yu Y, Wang R, Pan X.
    J Phys Chem A; 2010 Sep 02; 114(34):9057-68. PubMed ID: 20669929
    [Abstract] [Full Text] [Related]

  • 25. 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 02; 30(4):611-20. PubMed ID: 18780354
    [Abstract] [Full Text] [Related]

  • 26. 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]

  • 27. Theoretical study on the Br + CH3SCH3 reaction.
    Zhang H, Zhang GL, Wang L, Liu B, Yu XY, Li ZS.
    J Comput Chem; 2007 May 16; 28(7):1153-9. PubMed ID: 17285559
    [Abstract] [Full Text] [Related]

  • 28. Theoretical study on the reaction of SiH(CH(3))(3) with SiH(3) radical.
    Zhang H, Zhang GL, Liu JY, Sun M, Liu B, Li ZS.
    J Comput Chem; 2009 Jan 30; 30(2):236-42. PubMed ID: 18567006
    [Abstract] [Full Text] [Related]

  • 29. Reaction-path dynamics and theoretical rate constants for the CH(n)F(4-n) + O3 --> HOOO + CH(n-1)F(4-n) (n = 2,3) reactions.
    Li QS, Yang J, Zhang S.
    J Phys Chem A; 2006 Sep 28; 110(38):11113-9. PubMed ID: 16986845
    [Abstract] [Full Text] [Related]

  • 30. Theoretical dynamic studies on the reactions of CH3C(O)CH3-nCl(n) (n = 0-3) with the chlorine atom.
    Ji YM, Zhao XL, Liu JY, Wang Y, Li ZS.
    J Comput Chem; 2008 Apr 15; 29(5):809-19. PubMed ID: 17894372
    [Abstract] [Full Text] [Related]

  • 31. Hydrogen abstraction reactions of OH radicals with CH₃CH₂CH₂Cl and CH₃CHClCH₃: a mechanistic and kinetic study.
    Wang L, Li Y, He H, Zhang J.
    J Comput Chem; 2012 Jan 05; 33(1):66-75. PubMed ID: 21952915
    [Abstract] [Full Text] [Related]

  • 32. Theoretical study and rate constants calculation for the reactions of SiH3 radical with SiH3CH3 and SiH2(CH3)2.
    Zhang H, Zhang GL, Liu JY, Sun M, Liu B, Li ZS.
    J Comput Chem; 2010 Jan 30; 31(2):403-11. PubMed ID: 19499539
    [Abstract] [Full Text] [Related]

  • 33. Direct ab initio dynamics study on the rate constants and kinetic isotope effect for the reactions of H atoms with GeDn(CH3)4-n (n = 1-4).
    Wu Y, Ding YH, Xiao JF, Li ZS, Huang XR, Sun CC.
    J Comput Chem; 2002 Nov 15; 23(14):1366-74. PubMed ID: 12214319
    [Abstract] [Full Text] [Related]

  • 34. 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]

  • 35. Theoretical studies of the reaction of hydroxyl radical with methyl acetate.
    Yang L, Liu JY, Li ZS.
    J Phys Chem A; 2008 Jul 17; 112(28):6364-72. PubMed ID: 18564834
    [Abstract] [Full Text] [Related]

  • 36. 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]

  • 37. 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]

  • 38. CH3NHNH2 + OH reaction: mechanism and dynamics studies.
    Liu HX, Wang Y, Yang L, Liu JY, Gao H, Li ZS, Sun CC.
    J Comput Chem; 2009 Nov 15; 30(14):2194-204. PubMed ID: 19242961
    [Abstract] [Full Text] [Related]

  • 39. Direct dynamics study on the reaction of acetaldehyde with ozone.
    Yang J, Li QS, Zhang S.
    J Comput Chem; 2008 Jan 30; 29(2):247-55. PubMed ID: 17559074
    [Abstract] [Full Text] [Related]

  • 40. Theoretical investigation of the hydrogen abstraction reaction of the OH radical with CH3CHF2 (HFC152-a): a dual level direct density functional theory dynamics study.
    Taghikhani M, Parsafar GA, Sabzyan H.
    J Phys Chem A; 2005 Sep 15; 109(36):8158-67. PubMed ID: 16834202
    [Abstract] [Full Text] [Related]


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