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Journal Abstract Search


1830 related items for PubMed ID: 16789782

  • 1. Thermodynamic properties (enthalpy, bond energy, entropy, and heat capacity) and internal rotor potentials of vinyl alcohol, methyl vinyl ether, and their corresponding radicals.
    da Silva G, Kim CH, Bozzelli JW.
    J Phys Chem A; 2006 Jun 29; 110(25):7925-34. PubMed ID: 16789782
    [Abstract] [Full Text] [Related]

  • 2. Enthalpies of formation, bond dissociation energies, and molecular structures of the n-aldehydes (acetaldehyde, propanal, butanal, pentanal, hexanal, and heptanal) and their radicals.
    da Silva G, Bozzelli JW.
    J Phys Chem A; 2006 Dec 07; 110(48):13058-67. PubMed ID: 17134166
    [Abstract] [Full Text] [Related]

  • 3. Thermochemistry, bond energies, and internal rotor potentials of dimethyl tetraoxide.
    da Silva G, Bozzelli JW.
    J Phys Chem A; 2007 Nov 29; 111(47):12026-36. PubMed ID: 17983209
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  • 4. Structure and thermochemical properties of 2-methoxyfuran, 3-methoxyfuran, and their carbon-centered radicals using computational chemistry.
    Hudzik JM, Bozzelli JW.
    J Phys Chem A; 2010 Aug 05; 114(30):7984-95. PubMed ID: 20666545
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  • 5. Thermochemical properties, rotation barriers, and group additivity for unsaturated oxygenated hydrocarbons and radicals resulting from reaction of vinyl and phenyl radical systems with O2.
    Sebbarand N, Bockhorn H, Bozzelli JW.
    J Phys Chem A; 2005 Mar 17; 109(10):2233-53. PubMed ID: 16838995
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  • 6. Thermochemistry and bond dissociation energies of ketones.
    Hudzik JM, Bozzelli JW.
    J Phys Chem A; 2012 Jun 14; 116(23):5707-22. PubMed ID: 22668341
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  • 7. Thermochemical and kinetic analysis on the reactions of O2 with products from OH addition to isobutene, 2-hydroxy-1,1-dimethylethyl, and 2-hydroxy-2-methylpropyl radicals: HO2 formation from oxidation of neopentane, Part II.
    Sun H, Bozzelli JW, Law CK.
    J Phys Chem A; 2007 Jun 14; 111(23):4974-86. PubMed ID: 17511431
    [Abstract] [Full Text] [Related]

  • 8. Structures, internal rotor potentials, and thermochemical properties for a series of nitrocarbonyls, nitroolefins, corresponding nitrites, and their carbon centered radicals.
    Snitsiriwat S, Asatryan R, Bozzelli JW.
    J Phys Chem A; 2011 Dec 01; 115(47):13921-30. PubMed ID: 22010966
    [Abstract] [Full Text] [Related]

  • 9. Thermochemical properties and bond dissociation enthalpies of 3- to 5-member ring cyclic ether hydroperoxides, alcohols, and peroxy radicals: cyclic ether radical + (3)O(2) reaction thermochemistry.
    Auzmendi-Murua I, Bozzelli JW.
    J Phys Chem A; 2014 May 01; 118(17):3147-67. PubMed ID: 24660891
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  • 11. Thermochemical properties of methyl-substituted cyclic alkyl ethers and radicals for oxiranes, oxetanes, and oxolanes: C-H bond dissociation enthalpy trends with ring size and ether site.
    Auzmendi-Murua I, Charaya S, Bozzelli JW.
    J Phys Chem A; 2013 Jan 17; 117(2):378-92. PubMed ID: 23194387
    [Abstract] [Full Text] [Related]

  • 12. Thermochemistry of C7H16 to C10H22 alkane isomers: primary, secondary, and tertiary C-H bond dissociation energies and effects of branching.
    Hudzik JM, Bozzelli JW, Simmie JM.
    J Phys Chem A; 2014 Oct 09; 118(40):9364-79. PubMed ID: 25180943
    [Abstract] [Full Text] [Related]

  • 13. Thermodynamic and ab initio analysis of the controversial enthalpy of formation of formaldehyde.
    da Silva G, Bozzelli JW, Sebbar N, Bockhorn H.
    Chemphyschem; 2006 May 12; 7(5):1119-26. PubMed ID: 16596698
    [Abstract] [Full Text] [Related]

  • 14. 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]

  • 15. Energy barriers for the addition of H, *CH3, and *C2H5 to *CH2=CHX [X = H, CH3, OH] and for H-atom addition to RCH=O [R = H, CH3, *C2H5, n-C3H7]: implications for the gas-phase chemistry of enols.
    Simmie JM, Curran HJ.
    J Phys Chem A; 2009 Jul 09; 113(27):7834-45. PubMed ID: 19518123
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  • 18. Thermochemical and kinetic analysis of the thermal decomposition of monomethylhydrazine: an elementary reaction mechanism.
    Sun H, Law CK.
    J Phys Chem A; 2007 May 17; 111(19):3748-60. PubMed ID: 17388291
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  • 20. Thermochemical properties for isooctane and carbon radicals: computational study.
    Snitsiriwat S, Bozzelli JW.
    J Phys Chem A; 2013 Jan 17; 117(2):421-9. PubMed ID: 23234386
    [Abstract] [Full Text] [Related]


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