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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 [Abstract] [Full Text] [Related]
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 [Abstract] [Full Text] [Related]
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 [Abstract] [Full Text] [Related]
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 [Abstract] [Full Text] [Related]
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 [Abstract] [Full Text] [Related]
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 [Abstract] [Full Text] [Related]
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 [Abstract] [Full Text] [Related]