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532 related items for PubMed ID: 18698740

  • 21. Ab initio study on mechanisms and kinetics for reaction of NCS with NO.
    Chen HL, Zhu R, Chen HT, Li HJ, Ju SP.
    J Phys Chem A; 2008 Jun 19; 112(24):5495-501. PubMed ID: 18481840
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  • 22. Computational study on reaction mechanisms and kinetics of diazocarbene radical reaction with NO.
    Li HJ, Chen HL, Chang JG, Chen HT, Wu SY, Ju SP.
    J Phys Chem A; 2010 May 13; 114(18):5894-901. PubMed ID: 20394353
    [Abstract] [Full Text] [Related]

  • 23. 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
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  • 24. Ab initio kinetics of the reaction of HCO with NO: abstraction versus association/elimination mechanism.
    Xu ZF, Hsu CH, Lin MC.
    J Chem Phys; 2005 Jun 15; 122(23):234308. PubMed ID: 16008442
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  • 27. The mechanisms of the reactions of W and W+ with COx (x=1, 2): a computational study.
    Musaev DG, Irle S, Lin MC.
    J Phys Chem A; 2007 Jul 26; 111(29):6665-73. PubMed ID: 17388392
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  • 29. Mechanistic aspects of the dehydration and dehydrohalogenation of halo-hydroxyformaldoxime conformers. A quantum chemical model study.
    Tsipis AC, Tsipis CA.
    J Comput Chem; 2002 Oct 26; 23(13):1266-80. PubMed ID: 12210152
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  • 31. Reaction mechanism of naphthyl radicals with molecular oxygen. 1. Theoretical study of the potential energy surface.
    Zhou CW, Kislov VV, Mebel AM.
    J Phys Chem A; 2012 Feb 16; 116(6):1571-85. PubMed ID: 22239650
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  • 32. Isopropylcyclopropane + OH gas phase reaction: a quantum chemistry + CVT/SCT approach.
    Galano A, Cruz-Torres A, Alvarez-Idaboy JR.
    J Phys Chem A; 2006 Feb 09; 110(5):1917-24. PubMed ID: 16451025
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  • 33. Theoretical study on reaction mechanisms and kinetics of cyanomidyl radical with NO.
    Jian RC, Tsai C, Hsu LC, Chen HL.
    J Phys Chem A; 2010 Apr 08; 114(13):4655-63. PubMed ID: 20222667
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  • 37. Dynamics of energy transfer in collisions of O(3P) atoms with a 1-decanethiol self-assembled monolayer surface.
    Tasić US, Yan T, Hase WL.
    J Phys Chem B; 2006 Jun 22; 110(24):11863-77. PubMed ID: 16800489
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  • 38. 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
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  • 39. Thermodynamic properties of molecular borane phosphines, alane amines, and phosphine alanes and the [BH(4)(-)][PH(4)(+)], [AlH(4)(-)][NH(4)(+)], and [AlH(4)(-)][PH(4)(+)] salts for chemical hydrogen storage systems from ab initio electronic structure theory.
    Grant DJ, Dixon DA.
    J Phys Chem A; 2005 Nov 10; 109(44):10138-47. PubMed ID: 16838934
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  • 40. Computational studies on metathetical and redox processes of HOCl in the gas phase. 1. Reactions with H, O, HO, and HO2.
    Xu ZF, Lin MC.
    J Phys Chem A; 2009 Jul 30; 113(30):8811-7. PubMed ID: 19588899
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