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377 related items for PubMed ID: 16833521

  • 1. 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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  • 6. 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
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  • 7. Theoretical study of unimolecular decomposition of allene cations.
    Mebel AM, Bandrauk AD.
    J Chem Phys; 2008 Dec 14; 129(22):224311. PubMed ID: 19071920
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  • 8. Ab initio classical trajectory study of the fragmentation of C3H4 dications on the singlet and triplet surfaces.
    Psciuk BT, Tao P, Schlegel HB.
    J Phys Chem A; 2010 Jul 29; 114(29):7653-60. PubMed ID: 20590146
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  • 10. Can the C(5)H(5) + C(5)H(5) --> C(10)H(10) --> C(10)H(9) + H/C(10)H(8) + H(2) reaction produce naphthalene? An Ab initio/RRKM study.
    Mebel AM, Kislov VV.
    J Phys Chem A; 2009 Sep 10; 113(36):9825-33. PubMed ID: 19681629
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  • 13. Kinetics of the thermal reaction of H atoms with propyne.
    Rosado-Reyes CM, Manion JA, Tsang W.
    J Phys Chem A; 2010 May 13; 114(18):5710-7. PubMed ID: 20394350
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  • 15. Direct ab initio dynamics study on the rate constants and kinetics isotope effects of CH(3)O+H-->CH(2)O+H(2) reaction.
    Li QS, Zhang Y, Zhang S.
    J Chem Phys; 2004 Nov 15; 121(19):9474-80. PubMed ID: 15538868
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  • 16. Unimolecular thermal fragmentation of ortho-benzyne.
    Zhang X, Maccarone AT, Nimlos MR, Kato S, Bierbaum VM, Ellison GB, Ruscic B, Simmonett AC, Allen WD, Schaefer HF.
    J Chem Phys; 2007 Jan 28; 126(4):044312. PubMed ID: 17286475
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  • 17. Ab initio and analytic intermolecular potentials for Ar-CH(3)OH.
    Tasić U, Alexeev Y, Vayner G, Crawford TD, Windus TL, Hase WL.
    Phys Chem Chem Phys; 2006 Oct 28; 8(40):4678-84. PubMed ID: 17047766
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  • 19. Thinking out of the black box: accurate barrier heights of 1,3-dipolar cycloadditions of ozone with acetylene and ethylene.
    Wheeler SE, Ess DH, Houk KN.
    J Phys Chem A; 2008 Feb 28; 112(8):1798-807. PubMed ID: 18247512
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  • 20. Temperature dependent kinetics (195-798 K) and H atom yields (298-498 K) from reactions of (1)CH(2) with acetylene, ethene, and propene.
    Gannon KL, Blitz MA, Liang CH, Pilling MJ, Seakins PW, Glowacki DR.
    J Phys Chem A; 2010 Sep 09; 114(35):9413-24. PubMed ID: 20704298
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