Joseph W. Bozzelli - Publications

Affiliations: 
New Jersey Institute of Technology, Newark, NJ, United States 
Area:
Chemical Engineering, Polymer Chemistry, Environmental Sciences, Plastics Technology

201 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Hudzik JM, Barekati-Goudarzi M, Khachatryan L, Bozzelli JW, Ruckenstein E, Asatryan R. OH-Initiated Reactions of -Coumaryl Alcohol Relevant to the Lignin Pyrolysis. Part II. Kinetic Analysis. The Journal of Physical Chemistry. A. PMID 32432475 DOI: 10.1021/Acs.Jpca.9B11894  0.68
2020 Hudzik JM, Bozzelli JW, Asatryan R, Ruckenstein E. OH-Initiated Reactions of -Coumaryl Alcohol Relevant to the Lignin Pyrolysis. Part III. Kinetics of H-Abstraction by H, OH, and CH Radicals. The Journal of Physical Chemistry. A. PMID 32432474 DOI: 10.1021/Acs.Jpca.9B11898  0.68
2019 Snitsiriwat S, Bozzelli JW, Yommee S. Thermochemistry of Intermediates and Products in the Oxidation Reaction of 1,1,2 Trifluoroethene via OH Radical. The Journal of Physical Chemistry. A. PMID 31424214 DOI: 10.1021/acs.jpca.9b06647  0.72
2019 Asatryan R, Hudzik JM, Bozzelli JW, Khachatryan L, Ruckenstein E. OH - Initiated Reactions of Para-Coumaryl Alcohol Relevant to the Lignin Pyrolysis. Part I. Potential Energy Surface Analysis. The Journal of Physical Chemistry. A. PMID 30848901 DOI: 10.1021/Acs.Jpca.9B00185  0.68
2017 Asatryan R, Bennadji H, Bozzelli JW, Ruckenstein E, Khachatryan L. Molecular Products and Fundamentally Based Reaction Pathways in the Gas-Phase Pyrolysis of the Lignin Model Compound p-Coumaryl Alcohol. The Journal of Physical Chemistry. A. PMID 28406634 DOI: 10.1021/Acs.Jpca.7B01656  0.68
2016 Wang H, Bozzelli JW. Thermochemical Properties and Bond Dissociation Energies for Fluorinated Methanol, CH3-XFXOH, and Fluorinated Methyl Hydroperoxides, CH3-XFXOOH: Group Additivity. The Journal of Physical Chemistry. A. PMID 27483031 DOI: 10.1021/acs.jpca.6b05293  1
2016 Bozzelli JW, Wang H. Thermochemistry and Kinetic Analysis on Unimolecular Dissociation Reaction of Oxiranyl Radical: A Theoretical Study. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. PMID 26990491 DOI: 10.1002/cphc.201600152  1
2016 Yommee S, Bozzelli JW. Cyclopentadienone Oxidation Reaction Kinetics and Thermochemistry for the Alcohols, Hydroperoxides, and Vinylic, Alkoxy, and Alkylperoxy Radicals. The Journal of Physical Chemistry. A. 120: 433-51. PMID 26784854 DOI: 10.1021/acs.jpca.5b09004  1
2016 Wang H, Bozzelli JW. Thermochemical Properties (ΔfH°(298 K), S°(298 K), Cp(T)) and Bond Dissociation Energies for C1-C4 Normal Hydroperoxides and Peroxy Radicals Journal of Chemical and Engineering Data. 61: 1836-1849. DOI: 10.1021/acs.jced.5b01035  1
2016 Auzmendi-Murua I, Bozzelli JW. Gas Phase Mercury Oxidation by Halogens (Cl, Br, I) in Combustion Effluents: Influence of Operating Conditions Energy and Fuels. 30: 603-615. DOI: 10.1021/acs.energyfuels.5b01958  1
2016 Wang H, Bozzelli JW. Quantum chemical study on α-acrolein radicals association reactions with 3O2 2016 Spring Technical Meeting of the Eastern States Section of the Combustion Institute, Essci 2016 1
2016 Auzmendi-Murua I, Guzman F, Bozzelli JW. Gas phase oxidation of mercury by halogens (Cl, Br, I) in combustion effluents: Influence of operating conditions 2016 Spring Technical Meeting of the Eastern States Section of the Combustion Institute, Essci 2016 1
2015 Hudzik JM, Castillo Á, Bozzelli JW. Bond Energies and Thermochemical Properties of Ring-Opened Diradicals and Carbenes of exo-Tricyclo[5.2.1.0(2,6)]decane. The Journal of Physical Chemistry. A. 119: 9857-78. PMID 26295335 DOI: 10.1021/acs.jpca.5b05564  1
2015 Wang H, Castillo Á, Bozzelli JW. Thermochemical Properties Enthalpy, Entropy, and Heat Capacity of C1-C4 Fluorinated Hydrocarbons: Fluorocarbon Group Additivity. The Journal of Physical Chemistry. A. 119: 8202-15. PMID 26066097 DOI: 10.1021/acs.jpca.5b03912  1
2015 Chen CC, Bozzelli JW, Krasnoperov LN. Thermochemical properties of hydroxycyclohexadienyl peroxy isomers from reaction of O<inf>2</inf> with the benzene-OH adduct Zeitschrift Fur Physikalische Chemie. 229: 999-1036. DOI: 10.1515/zpch-2014-0632  1
2015 Sebbar N, Bozzelli JW, Bockhorn H. Comparison of RC(=O)=OOH, RC(=O)O-OH and R(C=O)OO-H bond dissociation energies with RC-OOH, RCO-OH and RCOO-H, R as phenyl, vinyl and alkyl groups Chemical Physics Letters. 629: 102-112. DOI: 10.1016/j.cplett.2015.03.040  1
2015 Sebbar N, Bozzelli JW, Bockhorn H. Kinetic study of di-tert-butyl peroxide: Thermal decomposition and product reaction pathways International Journal of Chemical Kinetics. 47: 133-161. DOI: 10.1002/kin.20899  1
2015 Wang H, Bozzelli JW. Cyclic ether dissociation and oxidation mechanism for 2-oxiranyl and 2-oxetanyl radicals: A theoretical study Aspacc 2015 - 10th Asia-Pacific Conference On Combustion 1
2014 Hudzik JM, Bozzelli JW, Simmie JM. Thermochemistry of C7H16 to C10H22 alkane isomers: primary, secondary, and tertiary C-H bond dissociation energies and effects of branching. The Journal of Physical Chemistry. A. 118: 9364-79. PMID 25180943 DOI: 10.1021/jp503587b  1
2014 Snitsiriwat S, Bozzelli JW. Thermochemistry, reaction paths, and kinetics on the tert-isooctane radical reaction with O2. The Journal of Physical Chemistry. A. 118: 4631-46. PMID 24894154 DOI: 10.1021/jp502702f  1
2014 Auzmendi-Murua I, Castillo Á, Bozzelli JW. Mercury oxidation via chlorine, bromine, and iodine under atmospheric conditions: thermochemistry and kinetics. The Journal of Physical Chemistry. A. 118: 2959-75. PMID 24661061 DOI: 10.1021/jp412654s  1
2014 Auzmendi-Murua I, Bozzelli JW. 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. The Journal of Physical Chemistry. A. 118: 3147-67. PMID 24660891 DOI: 10.1021/jp412590g  1
2014 Sebbar N, Bozzelli JW, Bockhorn H. Thermochemistry and kinetics for 2-butanone-1-yl radical (CH 2·C(=O)CH2CH3) reactions with O2 Journal of Physical Chemistry A. 118: 21-37. DOI: 10.1021/jp408708u  1
2014 Auzmendi-Murua I, Bozzelli JW. Thermochemistry, reaction paths, and kinetics on the secondary isooctane radical reaction with 3O2 International Journal of Chemical Kinetics. 46: 71-103. DOI: 10.1002/kin.20825  1
2013 Snitsiriwat S, Bozzelli JW. Thermochemical properties for isooctane and carbon radicals: computational study. The Journal of Physical Chemistry. A. 117: 421-9. PMID 23234386 DOI: 10.1021/jp3041154  1
2013 Auzmendi-Murua I, Charaya S, Bozzelli JW. 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. The Journal of Physical Chemistry. A. 117: 378-92. PMID 23194387 DOI: 10.1021/jp309775h  1
2013 Hudzik JM, Bozzelli JW. Calculated entropies for n -heptane, 2-methylhexane, 2,3-dimethylpentane, and radicals from the loss of H atoms Advances in Physical Chemistry. 2013. DOI: 10.1155/2013/673065  1
2012 da Silva G, Bozzelli JW. Kinetics of the benzyl + O(3P) reaction: a quantum chemical/statistical reaction rate theory study. Physical Chemistry Chemical Physics : Pccp. 14: 16143-54. PMID 23108328 DOI: 10.1039/c2cp42635h  1
2012 Asatryan R, Bozzelli JW, Ruckenstein E. Dihydrogen catalysis: a degradation mechanism for N2-fixation intermediates. The Journal of Physical Chemistry. A. 116: 11618-42. PMID 23095090 DOI: 10.1021/Jp303692V  1
2012 Auzmendi-Murua I, Bozzelli JW. Thermochemical properties and bond dissociation energies of C3-C5 cycloalkyl hydroperoxides and peroxy radicals: cycloalkyl radical + (3)O2 reaction thermochemistry. The Journal of Physical Chemistry. A. 116: 7550-63. PMID 22779400 DOI: 10.1021/jp302699s  1
2012 Hudzik JM, Bozzelli JW. Thermochemistry and bond dissociation energies of ketones. The Journal of Physical Chemistry. A. 116: 5707-22. PMID 22668341 DOI: 10.1021/jp302830c  1
2012 Jin F, Asatryan R, Bozzelli JW. Thermodynamic and kinetic analysis on the reaction of dimethyl sulfide radical with oxygen International Journal of Quantum Chemistry. 112: 1945-1958. DOI: 10.1002/qua.23171  1
2012 Pillai S, Bozzelli JW. Computational study on structures, thermochemical properties, and bond energies of disulfide oxygen (S-S-O)-bridged CH 3SSOH and CH 3SS(=O)H and radicals Journal of Physical Organic Chemistry. 25: 475-485. DOI: 10.1002/poc.1942  1
2012 Auzmendi-Murua I, Hudzik J, Bozzelli JW. Chemical activation reactions of cyclic alkanes and ethers and tricyclodecane ring-opened diradicals with O 2: Thermochemistry, reaction paths, kinetics, and modeling International Journal of Chemical Kinetics. 44: 232-256. DOI: 10.1002/kin.20630  1
2011 Snitsiriwat S, Asatryan R, Bozzelli JW. Structures, internal rotor potentials, and thermochemical properties for a series of nitrocarbonyls, nitroolefins, corresponding nitrites, and their carbon centered radicals. The Journal of Physical Chemistry. A. 115: 13921-30. PMID 22010966 DOI: 10.1021/jp207622p  1
2011 Sebbar N, Bozzelli JW, Bockhorn H. Thermochemistry and reaction paths in the oxidation reaction of benzoyl radical: C6H5C•(═O). The Journal of Physical Chemistry. A. 115: 11897-914. PMID 21942384 DOI: 10.1021/jp2078067  1
2011 Rutz LK, da Silva G, Bozzelli JW, Bockhorn H. Reaction of the i-C4H5 (CH2CCHCH2) radical with O2. The Journal of Physical Chemistry. A. 115: 1018-26. PMID 21261317 DOI: 10.1021/jp1072439  1
2011 Sebbar N, Bozzelli JW, Bockhorn H. Thermochemistry and kinetics for 2-butanone-3yl radical (CH 3C(=O)CH·CH 3) reactions with O 2 Zeitschrift Fur Physikalische Chemie. 225: 993-1018. DOI: 10.1524/zpch.2011.0144  1
2011 Zheng X, Bozzelli JW, Fisher EM, Gouldin FC, Zhu L. Experimental and computational study of oxidation of diethyl sulfide in a flow reactor Proceedings of the Combustion Institute. 33: 467-475. DOI: 10.1016/j.proci.2010.05.064  1
2011 Zheng X, Fisher EM, Gouldin FC, Bozzelli JW. Pyrolysis and oxidation of ethyl methyl sulfide in a flow reactor Combustion and Flame. 158: 1049-1058. DOI: 10.1016/j.combustflame.2010.10.018  1
2011 Gunturu A, Asatryan R, Bozzelli JW. Thermochemistry, bond energies and internal rotor barriers of methyl sulfinic acid, methyl sulfinic acid ester and their radicals Journal of Physical Organic Chemistry. 24: 366-377. DOI: 10.1002/poc.1766  1
2011 Auzmendi-Murua I, Bozzelli JW. Kinetic modeling of gas-phase mercury oxidation by chlorine and bromine in combustion effluents during oxy-combustion 11aiche - 2011 Aiche Annual Meeting, Conference Proceedings 1
2011 Auzmendi-Murua I, Snitsiriwa S, Bozzelli JW. Thermochemistry, reaction paths and kinetics on the isooctane radical reactions with O 2: Kinetic study at high pressures 11aiche - 2011 Aiche Annual Meeting, Conference Proceedings 1
2010 Hudzik JM, Asatryan R, Bozzelli JW. Thermochemical properties of exo-tricyclo[5.2.1.0(2,6)]decane (JP-10 jet fuel) and derived tricyclodecyl radicals. The Journal of Physical Chemistry. A. 114: 9545-53. PMID 20712369 DOI: 10.1021/jp1049556  1
2010 Asatryan R, da Silva G, Bozzelli JW. Quantum chemical study of the acrolein (CH2CHCHO) + OH + O2 reactions. The Journal of Physical Chemistry. A. 114: 8302-11. PMID 20701337 DOI: 10.1021/jp104828a  1
2010 Hudzik JM, Bozzelli JW. Structure and thermochemical properties of 2-methoxyfuran, 3-methoxyfuran, and their carbon-centered radicals using computational chemistry. The Journal of Physical Chemistry. A. 114: 7984-95. PMID 20666545 DOI: 10.1021/jp102996d  1
2010 Asatryan R, Bozzelli JW. Chain branching and termination in the low-temperature combustion of n-alkanes: 2-pentyl radical + O2, isomerization and association of the second O2. The Journal of Physical Chemistry. A. 114: 7693-708. PMID 20604539 DOI: 10.1021/jp101159h  1
2010 Asatryan R, Bozzelli JW, da Silva G, Swinnen S, Nguyen MT. Formation and decomposition of chemically activated and stabilized hydrazine. The Journal of Physical Chemistry. A. 114: 6235-49. PMID 20459147 DOI: 10.1021/Jp101640P  1
2010 da Silva G, Cole JA, Bozzelli JW. Kinetics of the cyclopentadienyl + acetylene, fulvenallene + H, and 1-ethynylcyclopentadiene + H reactions. The Journal of Physical Chemistry. A. 114: 2275-83. PMID 20104927 DOI: 10.1021/jp906835w  1
2010 Dattarajan S, Park O, Fisher EM, Gouldin FC, Bozzelli JW. Subatmospheric extinction of opposed-jet diffusion flames of jet fuel and its surrogates Aiaa Journal. 48: 158-165. DOI: 10.2514/1.42742  1
2010 Murua IA, Bozzelli JW. Gas-phase mercury conversion in h 2, o 2, chloro c 1-hydrocarbon, and no x combustion effluent from use of an elementary kinetic mechanism Combustion Science and Technology. 182: 529-543. DOI: 10.1080/00102200903463233  1
2010 Asatryan R, Bozzelli JW, Da Silva G, Swinnen S, Tho Nguyen M. Formation and decomposition of chemically activated and stabilized hydrazine Journal of Physical Chemistry A. 114: 6235-6249. DOI: 10.1021/jp101640p  1
2010 Silva Gd, Bozzelli JW. On the reactivity of methylbenzenes Combustion and Flame. 157: 2175-2183. DOI: 10.1016/j.combustflame.2010.06.001  1
2010 Snitsiriwat S, Asatryan R, Bozzelli JW. Thermochemical properties for n-propyl, iso-propyl, and tert-butyl nitroalkanes, alkyl nitrites, and their carbon-centered radicals International Journal of Chemical Kinetics. 42: 181-199. DOI: 10.1002/kin.20479  1
2010 Murua IA, Bozzelli JW. Ambient temperature mercury oxidation thermochemistry and kinetics via chlorine and bromine Aiche Annual Meeting, Conference Proceedings 1
2010 Snitsiriwat S, Da Silva G, Bozzelli JW. Thermochemistry and kinetic modeling for OH addition to propene and O2 association to the activated CH2(OH)C·HCH3 adduct: OH regeneration in atmospheric chemistry, initial modeling for double activation Aiche Annual Meeting, Conference Proceedings 1
2010 Snitsiriwat S, Asatryan R, Bozzelli JW. Thermochemistry and kinetics of the Acetonyl radicals + NO2: A theoretical study Aiche Annual Meeting, Conference Proceedings 1
2010 Auzmendi-Murua I, Bozzelli JW. Kinetic modeling of gas-phase mercury oxidation by halides in combustion effluents: The importance of NOx Aiche Annual Meeting, Conference Proceedings 1
2009 da Silva G, Hamdan MR, Bozzelli JW. Oxidation of the Benzyl Radical: Mechanism, Thermochemistry, and Kinetics for the Reactions of Benzyl Hydroperoxide. Journal of Chemical Theory and Computation. 5: 3185-94. PMID 26602503 DOI: 10.1021/ct900352f  1
2009 da Silva G, Bozzelli JW. The C7H5 fulvenallenyl radical as a combustion intermediate: potential new pathways to two- and three-ring PAHs. The Journal of Physical Chemistry. A. 113: 12045-8. PMID 19795829 DOI: 10.1021/jp907230b  1
2009 da Silva G, Moore EE, Bozzelli JW. Decomposition of methylbenzyl radicals in the pyrolysis and oxidation of xylenes. The Journal of Physical Chemistry. A. 113: 10264-78. PMID 19757847 DOI: 10.1021/jp905722t  1
2009 da Silva G, Bozzelli JW. Indene formation from alkylated aromatics: kinetics and products of the fulvenallene + acetylene reaction. The Journal of Physical Chemistry. A. 113: 8971-8. PMID 19603772 DOI: 10.1021/jp904261e  1
2009 da Silva G, Bozzelli JW, Liang L, Farrell JT. Ethanol oxidation: kinetics of the alpha-hydroxyethyl radical + O2 reaction. The Journal of Physical Chemistry. A. 113: 8923-33. PMID 19594149 DOI: 10.1021/jp903210a  1
2009 da Silva G, Bozzelli JW, Asatryan R. Hydroxyl radical initiated oxidation of s-triazine: hydrogen abstraction is faster than hydroxyl addition. The Journal of Physical Chemistry. A. 113: 8596-606. PMID 19572687 DOI: 10.1021/jp904156r  1
2009 da Silva G, Bozzelli JW. Benzoxyl radical decomposition kinetics: formation of benzaldehyde + H, phenyl + CH2O, and benzene + HCO. The Journal of Physical Chemistry. A. 113: 6979-86. PMID 19496593 DOI: 10.1021/jp902458d  1
2009 da Silva G, Cole JA, Bozzelli JW. Thermal decomposition of the benzyl radical to fulvenallene (C7H6) + H. The Journal of Physical Chemistry. A. 113: 6111-20. PMID 19408911 DOI: 10.1021/jp901933x  1
2009 Zheng X, Fisher EM, Gouldin FC, Zhu L, Bozzelli JW. Experimental and computational study of diethyl sulfide pyrolysis and mechanism Proceedings of the Combustion Institute. 32: 469-476. DOI: 10.1016/j.proci.2008.06.176  1
2009 Da Silva G, Bozzelli JW. Kinetic modeling of the benzyl + HO2 reaction Proceedings of the Combustion Institute. 32: 287-294. DOI: 10.1016/j.proci.2008.05.040  1
2009 da Silva G, Bozzelli JW. Role of the α-hydroxyethylperoxy radical in the reactions of acetaldehyde and vinyl alcohol with HO2 Chemical Physics Letters. 483: 25-29. DOI: 10.1016/j.cplett.2009.10.045  1
2009 Dattarajan S, Park O, Fisher EM, Gouldin FC, Bozzelli JW. Subatmospheric extinction of opposed jet diffusion flames of jet fuel and its surrogates 47th Aiaa Aerospace Sciences Meeting Including the New Horizons Forum and Aerospace Exposition 1
2009 Asatryan R, Bozzelli JW. Dihydrogen mediated hydrogen transfer reactions Fall Meeting of the Eastern States Section of the Combustion Institute 2009. 257-262.  1
2009 Murua IA, Bozzelli JW. Elementary mechanism for gas phase mercury conversion in H2, O2, chloro and bromo C1-hydrocarbon and NOx combustion environments Fall Meeting of the Eastern States Section of the Combustion Institute 2009. 182-203.  1
2009 Gunturu A, Bozzelli JW. Abstraction of allylic hydrogen of propene by alkyl radicals. Thermochemistry and kinetic study Fall Meeting of the Eastern States Section of the Combustion Institute 2009. 237-250.  1
2009 Snitsiriwat S, Da Silva G, Bozzelli JW. Thermochemistry and kinetic modeling for OH addition to ethylene and propene and subsequent hydroxyethyl radical + O2 reactions in atmospheric chemistry Fall Meeting of the Eastern States Section of the Combustion Institute 2009. 204-211.  1
2009 Da Silva G, Bozzelli JW. Decomposition of methylbenzyl radicals in the oxidation and pyrolysis of xylenes Fall Meeting of the Eastern States Section of the Combustion Institute 2009. 221-236.  1
2008 El-Nahas AM, Simmie JM, Navarro MV, Bozzelli JW, Black G, Curran HJ. Thermochemistry and kinetics of acetonylperoxy radical isomerisation and decomposition: a quantum chemistry and CVT/SCT approach. Physical Chemistry Chemical Physics : Pccp. 10: 7139-49. PMID 19039348 DOI: 10.1039/b810853f  1
2008 Asatryan R, Bozzelli JW. Formation of a Criegee intermediate in the low-temperature oxidation of dimethyl sulfoxide. Physical Chemistry Chemical Physics : Pccp. 10: 1769-80. PMID 18350182 DOI: 10.1039/b716179d  1
2008 da Silva G, Bozzelli JW. Variational analysis of the phenyl + O2 and phenoxy + O reactions. The Journal of Physical Chemistry. A. 112: 3566-75. PMID 18348555 DOI: 10.1021/jp7118845  1
2008 Asatryan R, Bozzelli JW, Simmie JM. Thermochemistry of methyl and ethyl nitro, RNO2, and nitrite, RONO, organic compounds. The Journal of Physical Chemistry. A. 112: 3172-85. PMID 18348551 DOI: 10.1021/jp710960u  1
2008 da Silva G, Bozzelli JW. Retro-[3 + 2]-cycloaddition reactions in the decomposition of five-membered nitrogen-containing heterocycles. The Journal of Organic Chemistry. 73: 1343-53. PMID 18197676 DOI: 10.1021/jo701914y  1
2008 Sebbar N, Bockhorn H, Bozzelli JW. Thermochemical similarities among three reaction systems: Vinyl+O2 - Phenyl+O2 - Dibenzofuranyl+O2 Combustion Science and Technology. 180: 959-974. DOI: 10.1080/00102200801894455  1
2008 Silva GD, Bozzelli JW. Thermochemistry, bond energies, and internal rotor potentials of dimethyl tetraoxide (Journal of Physical Chemistry A) (112026)) Journal of Physical Chemistry A. 112: 3787. DOI: 10.1021/jp801491d  1
2008 Hor YL, Lim HC, Federici JF, Moore E, Bozzelli JW. Terahertz study of trichloroanisole by time-domain spectroscopy Chemical Physics. 353: 185-188. DOI: 10.1016/j.chemphys.2008.08.011  1
2008 Montgomery CJ, Tang Q, Sarofim AF, Bozzelli JW. Supersonic reacting flow simulations using reduced chemical kinetic mechanisms and multiprocessor ISAT 46th Aiaa Aerospace Sciences Meeting and Exhibit 1
2008 Dattarajan S, Montgomery CJ, Gouldin FC, Fisher EM, Bozzelli JW. Extinction of opposed jet diffusion flames of scramjet fuel components at subatmospheric pressures 46th Aiaa Aerospace Sciences Meeting and Exhibit 1
2007 da Silva G, Bozzelli JW. Thermochemistry, bond energies, and internal rotor potentials of dimethyl tetraoxide. The Journal of Physical Chemistry. A. 111: 12026-36. PMID 17983209 DOI: 10.1021/jp075144f  1
2007 da Silva G, Chen CC, Bozzelli JW. Toluene combustion: reaction paths, thermochemical properties, and kinetic analysis for the methylphenyl radical + O2 reaction. The Journal of Physical Chemistry. A. 111: 8663-76. PMID 17696501 DOI: 10.1021/jp068640x  1
2007 Silva Gd, Bozzelli JW. Quantum chemical study of the thermal decomposition of o-quinone methide (6-methylene-2,4-cyclohexadien-1-one). The Journal of Physical Chemistry. A. 111: 7987-94. PMID 17645323 DOI: 10.1021/jp073335c  1
2007 Zhu L, Bozzelli JW, Kardos LM. Thermochemical properties, DeltafH degrees (298), S degrees (298), and Cp degrees (T), for n-butyl and n-pentyl hydroperoxides and the alkyl and peroxy radicals, transition states, and kinetics for intramolecular hydrogen shift reactions of the peroxy radicals. The Journal of Physical Chemistry. A. 111: 6361-77. PMID 17585739 DOI: 10.1021/jp070342s  1
2007 Sun H, Bozzelli JW, Law CK. 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. The Journal of Physical Chemistry. A. 111: 4974-86. PMID 17511431 DOI: 10.1021/jp070072d  1
2007 El-Nahas AM, Navarro MV, Simmie JM, Bozzelli JW, Curran HJ, Dooley S, Metcalfe W. Enthalpies of formation, bond dissociation energies and reaction paths for the decomposition of model biofuels: ethyl propanoate and methyl butanoate. The Journal of Physical Chemistry. A. 111: 3727-39. PMID 17286391 DOI: 10.1021/jp067413s  1
2007 Bozzelli JW, Rajasekaran I. Thermochemistry of oxabicyclo-heptanes, oxabicyclo-heptene: Enthalpy of formation, entropy, heat capacity, and group additivity Journal of Physical and Chemical Reference Data. 36: 663-681. DOI: 10.1063/1.2734558  1
2007 Silva GD, Bozzelli JW. Theoretical study of the oxidation catalyst N-Hydroxyphthalimide (NHPI): Thermochemical properties, internal rotor potential, and gas- And liquid-phase bond dissociation energies Journal of Physical Chemistry C. 111: 5760-5765. DOI: 10.1021/jp068727i  1
2007 Asatryan R, Bozzelli JW, Simmie JM. Thermochemistry for enthalpies and reaction paths of nitrous acid isomers International Journal of Chemical Kinetics. 39: 378-398. DOI: 10.1002/kin.20247  1
2007 Montgomery CJ, Qing T, Bozzelli JW, White JA. Improved chemical kinetic models for scramjet combustion simulation Collection of Technical Papers - 45th Aiaa Aerospace Sciences Meeting. 14: 9487-9496.  1
2007 Zhu L, Bozzelli JW. Reaction paths, kinetics, and thermochemical properties on the thioformyl radical (S=C•H) with O2 reaction 5th Us Combustion Meeting 2007. 3: 1523-1531.  1
2007 Asatryan R, Bozzelli JW. Chain branching and termination paths in oxidation of n-alkanes: Comprehensive Complete Basis Set-QB3 study on the association of n-pentyl radical with O2, isomerization and addition of second oxygen molecule Fall Technical Meeting of the Eastern States Section of the Combustion Institute 2007 "Chemical and Physical Processes in Combustion",. 99-104.  1
2007 Da Silva G, Bozzelli JW. Kinetic modeling of the benzyl + HO2 reaction Fall Technical Meeting of the Eastern States Section of the Combustion Institute 2007 "Chemical and Physical Processes in Combustion",. 212-217.  1
2007 Bozzelli JW, Asatryan R, Montgomery CJ, Sheng C. Pressure dependent mechanism for H/O/C(1) chemistry 5th Us Combustion Meeting 2007. 6: 3691-3700.  1
2007 Anderson WR, Da Silva G, Bozzelli JW, Conner CB. Theoretical study of the combustion and thermal decomposition of RDX Part I: Kinetic modeling Fall Technical Meeting of the Eastern States Section of the Combustion Institute 2007 "Chemical and Physical Processes in Combustion". 3-16.  1
2007 Rutz L, Da Silva G, Bozzelli JW, Bockhorn H. Secondary vinylic radicals in 1,3-butadiene systems and their reactions with O2: A theoretical study of thermochemical properties, reaction paths, and kinetics 5th Us Combustion Meeting 2007. 2: 1110-1121.  1
2007 Da Silva G, Bozzelli JW, Liang L, Farrell JT. Thermochemistry and kinetics of the alpha- and betahydroxyethyl radical + O2 reactions in ethanol combustion 5th Us Combustion Meeting 2007. 3: 1378-1392.  1
2007 Da Silva G, Liang L, Bozzelli JW, Farrell JT. Thermochemistry and kinetics of the α-hydroxyethyl radical + O2 reaction in ethanol combustion Fall Technical Meeting of the Eastern States Section of the Combustion Institute 2007 "Chemical and Physical Processes in Combustion",. 114-128.  1
2007 Zheng X, Fisher EM, Gouldin FC, Zhu L, Bozzelli JW. Flow reactor pyrolysis of diethyl sulfide Fall Technical Meeting of the Eastern States Section of the Combustion Institute 2007 "Chemical and Physical Processes in Combustion",. 129-144.  1
2006 da Silva G, Moore EE, Bozzelli JW. Quantum chemical study of the structure and thermochemistry of the five-membered nitrogen-containing heterocycles and their anions and radicals. The Journal of Physical Chemistry. A. 110: 13979-88. PMID 17181359 DOI: 10.1021/jp065150w  1
2006 El-Nahas AM, Bozzelli JW, Simmie JM, Navarro MV, Black G, Curran HJ. Thermochemistry of acetonyl and related radicals. The Journal of Physical Chemistry. A. 110: 13618-23. PMID 17165890 DOI: 10.1021/jp065003y  1
2006 da Silva G, Bozzelli JW. Enthalpies of formation, bond dissociation energies, and molecular structures of the n-aldehydes (acetaldehyde, propanal, butanal, pentanal, hexanal, and heptanal) and their radicals. The Journal of Physical Chemistry. A. 110: 13058-67. PMID 17134166 DOI: 10.1021/jp063772b  1
2006 da Silva G, Kim CH, Bozzelli JW. Thermodynamic properties (enthalpy, bond energy, entropy, and heat capacity) and internal rotor potentials of vinyl alcohol, methyl vinyl ether, and their corresponding radicals. The Journal of Physical Chemistry. A. 110: 7925-34. PMID 16789782 DOI: 10.1021/jp0602878  1
2006 Zhu L, Bozzelli JW. Kinetics of the multichannel reaction of methanethiyl radical (CH3S*) with 3O2. The Journal of Physical Chemistry. A. 110: 6923-37. PMID 16722707 DOI: 10.1021/jp056209m  1
2006 da Silva G, Bozzelli JW, Sebbar N, Bockhorn H. Thermodynamic and ab initio analysis of the controversial enthalpy of formation of formaldehyde. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 7: 1119-26. PMID 16596698 DOI: 10.1002/cphc.200500667  1
2006 da Silva G, Chen CC, Bozzelli JW. Bond dissociation energy of the phenol O{single bond}H bond from ab initio calculations Chemical Physics Letters. 424: 42-45. DOI: 10.1016/j.cplett.2006.04.022  1
2006 Bozzelli JW, Rajasekaran I, Hur J. Thermochemistry of oxabicycloheptenes: Enthalpy of formation, entropy and heat capacity Journal of Physical Organic Chemistry. 19: 93-103. DOI: 10.1002/poc.1001  1
2006 Androulakis IP, Grenda JM, Barckholtz TA, Bozzelli JW. Propagation of uncertainty in chemically activated systems Aiche Journal. 52: 3246-3256. DOI: 10.1002/aic.10945  1
2005 Sebbarand N, Bockhorn H, Bozzelli JW. Thermochemical properties, rotation barriers, and group additivity for unsaturated oxygenated hydrocarbons and radicals resulting from reaction of vinyl and phenyl radical systems with O2. The Journal of Physical Chemistry. A. 109: 2233-53. PMID 16838995 DOI: 10.1021/jp046285+  1
2005 Zhu L, Bozzelli JW. The multi-channel reaction of CH3S+3O2: Thermochemistry and kinetic barriers Journal of Molecular Structure: Theochem. 728: 147-157. DOI: 10.1016/j.theochem.2005.05.002  1
2005 Lee J, Bozzelli JW. Thermochemical and kinetic analysis of the allyl radical with O2 reaction system Proceedings of the Combustion Institute. 30: 1015-1021. DOI: 10.1016/j.proci.2004.08.092  1
2005 Sebbar N, Bozzelli JW, Bockhorn H. Enthalpy of formation and bond energies on unsaturated oxygenated hydrocarbons using G3MP2B3 calculation methods International Journal of Chemical Kinetics. 37: 633-648. DOI: 10.1002/kin.20086  1
2005 Montgomery CJ, Sarofim AF, Preciado I, Marsh ND, Eddings EG, Bozzelli JW. Experimental and numerical investigation of soot-reducing fuel additives 41st Aiaa/Asme/Sae/Asee Joint Propulsion Conference and Exhibit 1
2005 Zhu L, Pope CJ, Kardos LM, Bozzelli JW. Thermochemical properties, ΔfH°(298), S°(298), and Cp °(T), for n-butyl and n-pentyl hydroperoxides, the alkyl and peroxy radicals, transition states and kinetics for intramolecular hydrogen shift reactions to the peroxy radicals Fall Technical Meeting of the Western States Section of the Combustion Institute 2005, Wss/Ci 2005 Fall Meeting. 1: 700-747.  1
2004 Chen CC, Bozzelli JW, Farrell JT. Thermochemical properties, pathway, and kinetic analysis on the reactions of benzene with OH: An elementary reaction mechanism Journal of Physical Chemistry A. 108: 4632-4652. DOI: 10.1021/jp0312823  1
2004 Sebbar N, Bozzelli JW, Bockhorn H. Thermochemical properties, rotation barriers, bond energies, and group additivity for Vinyl, Phenyl, Ethynyl, and Allyl peroxides Journal of Physical Chemistry A. 108: 8353-8366. DOI: 10.1021/jp031067m  1
2004 Sun H, Bozzelli JW. Thermochemical and Kinetic Analysis on the Reactions of Neopentyl and Hydroperoxy-Neopentyl Radicals with Oxygen: Part I. OH and Initial Stable HC Product Formation Journal of Physical Chemistry A. 108: 1694-1711. DOI: 10.1021/jp030667i  1
2004 Miller TA, Wooldridge MS, Bozzelli JW. Computational modeling of the SiH3 + O2 reaction and silane combustion Combustion and Flame. 137: 73-92. DOI: 10.1016/j.combustflame.2003.12.012  1
2004 Androulakis IP, Grenda JM, Bozzelli JW. Time-integrated pointers for enabling the analysis of detailed reaction mechanisms Aiche Journal. 50: 2956-2970. DOI: 10.1002/aic.10263  1
2004 Lee J, Bozzelli JW. Thermochemical and kinetic analysis of the allyl radical with O2 reaction system Acs Division of Fuel Chemistry, Preprints. 49.  1
2004 Rutz L, Bockhorn H, Bozzelli JW. Methyl radical and shift reactions with aliphatic and aromatic hydrocarbons: Thermochemical properties, reaction paths and kinetic parameters Acs Division of Fuel Chemistry, Preprints. 49.  1
2004 Sun H, Bozzelli JW. Thermochemical and kinetic analysis of aromatic xylenes oxidation Acs National Meeting Book of Abstracts. 228.  1
2004 Chen Cc, Bozzelli JW. Thermochemistry, kinetics, and kinetic modeling on atmospheric reactions of the benzene-OH-adduct with O2 Acs National Meeting Book of Abstracts. 228.  1
2004 Rutz LK, Bockhorn H, Bozzelli JW. Methyl radical substitution and shift reactions with aliphatic and aromatic hydrocarbons International Symposium On Combustion, Abstracts of Works-in-Progress Posters. 23.  1
2003 Procaccini C, Bozzelli JW, Longwell JP, Sarofim AF, Smith KA. Formation of chlorinated aromatics by reactions of Cl*, Cl2, and HCl with benzene in the cool-down zone of a combustor. Environmental Science & Technology. 37: 1684-9. PMID 12731854 DOI: 10.1021/Es011432S  1
2003 Zhu L, Bozzelli JW. Thermochemical Properties, Δ fH° (298.15 K), S° (298.15 K), and C° p(T), of 1,4-Dioxin, 2,3-Benzodioxin, Furan, 2,3-Benzofuran, and Twelve Monochloro and Dichloro Dibenzo-p-dioxins and Dibenzofurans Journal of Physical and Chemical Reference Data. 32: 1713-1735. DOI: 10.1063/1.1571057  1
2003 Sebbar N, Bockhorn H, Bozzelli JW. Thermodynamic properties (S298, Cp(T), internal rotations and) group additivity parameters) in vinyl and phenyl hydroperoxides Physical Chemistry Chemical Physics. 5: 300-307. DOI: 10.1039/b207030h  1
2003 Chen CC, Lay TH, Bozzelli JW. Structure, intramolecular rotation barrier, and thermochemical properties of hydroxycyclohexadienyl radical Journal of Physical Chemistry A. 107: 6451-6456. DOI: 10.1021/jp030298q  1
2003 Lee J, Bozzelli JW. Thermochemical and kinetic analysis of the formyl methyl radical + O2 reaction system Journal of Physical Chemistry A. 107: 3778-3791. DOI: 10.1021/jp030001o  1
2003 Sun H, Bozzelli JW. Structures, rotational barriers, and thermochemical properties of β-chlorinated ethyl hydroperoxides Journal of Physical Chemistry A. 107: 1018-1024. DOI: 10.1021/jp022298g  1
2003 Chen CC, Bozzelli JW. Structures, intramolecular rotation barriers, and thermochemical properties of methyl ethyl, methyl isopropyl, and methyl tert-butyl ethers and the corresponding radicals Journal of Physical Chemistry A. 107: 4531-4546. DOI: 10.1021/jp022131n  1
2003 Zhu L, Bozzelli JW. Kinetics and thermochemistry for the gas-phase keto-enol tautomerism of phenol ↔ 2,4-cyclohexadienone Journal of Physical Chemistry A. 107: 3696-3703. DOI: 10.1021/jp0212545  1
2003 Ing WC, Sheng CY, Bozzelli JW. Development of a detailed high-pressure reaction model for methane/methanol mixtures under pyrolytic and oxidative conditions and comparison with experimental data Fuel Processing Technology. 83: 111-145. DOI: 10.1016/S0378-3820(03)00062-6  1
2003 Li ZHU, Bozzelli JW. Kinetics and Mechanism for the Thermal Chlorination of Chloroform in the Gas Phase: Inclusion of HCl Elimination from CHCl 3 International Journal of Chemical Kinetics. 35: 647-660. DOI: 10.1002/kin.10159  1
2003 Lee J, Bozzelli JW. Reaction of H + ketene to formyl methyl and acetyl radicals and reverse dissociations International Journal of Chemical Kinetics. 35: 20-44. DOI: 10.1002/kin.10103  1
2002 Chern HT, Bozzelli JW. Comment on "Formation of dioxins during the combustion of newspapers in the presence of sodium chloride and poly(vinyl chloride)". Environmental Science & Technology. 36: 2107; author reply 2. PMID 12027001 DOI: 10.1021/es025516s  1
2002 Sebbar N, Bockhorn H, Bozzelli JW. Structures, thermochemical properties (enthalpy, entropy and heat capacity), rotation barriers, and peroxide bond energies of vinyl, allyl, ethynyl and phenyl hydroperoxides Physical Chemistry Chemical Physics. 4: 3691-3703. DOI: 10.1039/b111303h  1
2002 Sheng CY, Bozzelli JW, Dean AM, Chang AY. Detailed kinetics and thermochemistry of C2H5 O2: Reaction kinetics of the chemically-activated and stabilized CH3CH2OO. adduct Journal of Physical Chemistry A. 106: 7276-7293. DOI: 10.1021/jp014540+  1
2002 Lee J, Chen CJ, Bozzelli JW. Thermochemical and kinetic analysis of the acetyl radical (CH3C.O) + O2 reaction system Journal of Physical Chemistry A. 106: 7155-7170. DOI: 10.1021/jp014443g  1
2002 Sun H, Bozzelli JW. Structures, rotational barriers, thermochemical properties, and additivity groups for 2-propanol, 2-chloro-2-propanol and the corresponding alkoxy and hydroxyalkyl radicals Journal of Physical Chemistry A. 106: 3947-3956. DOI: 10.1021/jp014442o  1
2002 Bozzelli JW, Sheng C. Thermochemistry, reaction paths, and kinetics on the hydroperoxy-ethyl radical reaction with O2: New chain branching reactions in hydrocarbon oxidation Journal of Physical Chemistry A. 106: 1113-1121. DOI: 10.1021/jp013604d  1
2002 Zhu L, Bozzelli JW. Structures, rotational barriers, and thermochemical properties of chlorinated aldehydes and the corresponding acetyl (CC.=O) and formyl methyl radicals (C.C=O) and additivity groups Journal of Physical Chemistry A. 106: 345-355. DOI: 10.1021/jp0131424  1
2002 Thipse SS, Sheng C, Booty MR, Magee RS, Bozzelli JW. Chemical makeup and physical characterization of a synthetic fuel and methods of heat content evaluation for studies on MSW incineration Fuel. 81: 211-217. DOI: 10.1016/S0016-2361(01)00133-8  1
2002 Zhu L, Bozzelli JW. Thermodynamic properties of chloroacetylene, dichloroacetylene, ethynyl radical, and chloroethynyl radical Chemical Physics Letters. 362: 445-452. DOI: 10.1016/S0009-2614(02)01037-0  1
2002 Zhu L, Bozzelli JW. Cl2 molecular elimination reaction from 1,2-dichloroethane Chemical Physics Letters. 357: 65-72. DOI: 10.1016/S0009-2614(02)00442-6  1
2002 Bozzelli JW, Chen CJ. Kinetic and thermodynamic pathway analysis and elementary reaction mechanism for atmospheric reactions of benzene and toluene Acs Division of Environmental Chemistry, Preprints. 42: 668-673.  1
2002 Rutz L, Bockhorn H, Bozzelli JW. Thermodynamic properties of unsaturated and PAH's: Molecules, radicals and transition states important to soot formation International Symposium On Combustion Abstracts of Works-in-Progress Posters. 33.  1
2002 Zhu L, Chen Cj, Bozzelli JW. Thermochemical properties (ΔHf° 298, S°298, and Cp° (T) (10 ≤ T/K ≤ 6000)) of chlorobenzenes, chlorophenols, and monochloro, dichloro dibenzo-p-dioxins and dibenzofurans Acs Division of Environmental Chemistry, Preprints. 42: 327-331.  1
2002 Farrell JT, Androulakis IP, Johnston RJ, Bozzelli JW. Laminar burning velocity measurements and modeling of benzene International Symposium On Combustion Abstracts of Works-in-Progress Posters. 367.  1
2002 Pitz WJ, Seiser R, Bozzelli JW, Seshadri K, Chen CJ, Da Costa I, Fournet R, Billaud F, Battin-Leclerc F, Westbrook CK. Chemical kinetic study of toluene oxidation International Symposium On Combustion Abstracts of Works-in-Progress Posters. 241.  1
2002 Park BI, Bozzelli JW, Booty MR. Pyrolysis and oxidation of cellulose in a continuous-feed and -flow reactor: Effects of NaCl Industrial and Engineering Chemistry Research. 41: 3526-3539.  1
2002 Sheng C, Bozzelli JW, Ing Wc. Development of a pressure dependent reaction model for methane/methanol mixtures under pyrolytic and oxidative conditions and comparison with experiment Acs Division of Fuel Chemistry, Preprints. 47: 98-102.  1
2002 Bozzelli JW, Chen CJ, Sheng C, Dean AM. Thermochemistry and Kinetics for Alkyl + O2 Reactions in Hydrocarbon Oxidation Acs Division of Fuel Chemistry, Preprints. 47: 219-222.  1
2001 Sun H, Bozzelli JW. Structures, intramolecular rotation barriers, and thermochemical properties: Ethanol, a-monoethanols, dichloroethanols, and corresponding radicals derived from h atom loss Journal of Physical Chemistry A. 105: 9543-9552.  1
2001 Jung D, Bozzelli JW. Structure, torsional potentials, and thermodynamic properties ΔHof298, So298, and Cp(T) of chloro-dimethyl ethers: CH2ClOCH3, CHCl2OCH3, and CCl3OCH3. Density functional and ab initio calculations Journal of Physical Chemistry A. 105: 5420-5430.  1
2001 Hongyan S, Bozzelli JW. Structures, intramolecular rotation barriers, and thermochemical properties of radicals derived from h atom loss in mono-, di-, and trichloromethanol and parent chloromethanols Journal of Physical Chemistry A. 105: 4504-4516.  1
2001 Bozzelli JW, Jung D. Theoretical investigation on stability of the C·H2OCl radical Journal of Physical Chemistry A. 105: 3941-3946.  1
2001 Richter H, Mazyar OA, Sumathi R, Green WH, Howard JB, Bozzelli JW. Detailed kinetic study of the growth of small polycyclic aromatic hydrocarbons. I. 1-Naphthyl + ethyne Journal of Physical Chemistry A. 105: 1561-1573.  1
2000 Chen CJ, Bozzelli JW. Kinetic analysis for HO2 addition to ethylene, propene, and isobutene, and thermochemical parameters of alkyl hydroperoxides and hydroperoxide alkyl radicals Journal of Physical Chemistry A. 104: 4997-5012. DOI: 10.1021/jp993111x  1
2000 Dinaro JL, Howard JB, Green WH, Tester JW, Bozzelli JW. Elementary reaction mechanism for benzene oxidation in supercritical water Journal of Physical Chemistry A. 104: 10576-10586. DOI: 10.1021/Jp001390E  1
2000 Chen CJ, Bozzelli JW. Thermochemical property, pathway and kinetic analysis on the reactions of allylic isobutenyl radical with O2: An elementary reaction mechanism for isobutene oxidation Journal of Physical Chemistry A. 104: 9715-9732. DOI: 10.1021/jp001060u  1
2000 Procaccini C, Bozzelli JW, Longwell JP, Smith KA, Sarofim AF. Presence of chlorine radicals and formation of molecular chlorine in the post-flame region of chlorocarbon combustion Environmental Science and Technology. 34: 4565-4570. DOI: 10.1021/Es001051Z  1
2000 Lee J, Bozzelli JW, Sawerysyn JP. Ab initio calculations and thermochemical analysis on Cl atom abstractions of chlorine from chlorocarbons and the reverse alkyl abstractions: Cl2+R·↔Cl·+RCl International Journal of Chemical Kinetics. 32: 548-565. DOI: 10.1002/1097-4601(2000)32:9<548::AID-KIN5>3.0.CO;2-P  1
2000 Yamada T, Bozzelli JW, Lay TH. Comparisons of CBS-q and G2 calculations on thermodynamic properties, transition states, and kinetics of dimethyl-ether+O2 reaction system International Journal of Chemical Kinetics. 32: 435-452. DOI: 10.1002/(SICI)1097-4601(2000)32:7<435::AID-KIN6>3.0.CO;2-4  1
2000 Chang AY, Bozzelli JW, Dean AM. Kinetic analysis of complex chemical activation and unimolecular dissociation reactions using QRRK theory and the modified strong collision approximation Zeitschrift Fur Physikalische Chemie. 214: 1533-1568.  1
2000 Jung D, Chen CJ, Bozzelli JW. Structures, rotation barrier, and thermodynamic properties ΔH°f 298, S°298, and CP(T) of chloromethyl hypochlorites CH3OCl, CH2ClOCl, CHCl2OCl, and CCl3OCl Journal of Physical Chemistry A. 104: 9581-9590.  1
2000 Zhu L, Chen CJ, Bozzelli JW. Structures, rotational barriers, and thermodynamic properties of C2 vinyl and chlorovinyl alcohols and additivity groups Journal of Physical Chemistry A. 104: 9197-9206.  1
2000 Sheng C, Bozzelli JW. ab initio molecular orbital and density functional analysis of acetylene+O2 reactions with CHEMKIN evaluation International Journal of Chemical Kinetics. 32: 623-641.  1
2000 Hongyan S, Chen CJ, Bozzelli JW. Structures, intramolecular rotation barriers, and thermodynamic properties (enthalpies, entropies and heat capacities) of chlorinated methyl hydroperoxides (CH2ClOOH, CHCl2OOH, and CCl3OOH) Journal of Physical Chemistry A. 104: 8270-8282.  1
2000 Bozzelli JW, Glaude PA, Kubota A, Pitz WJ, Westbrook CK. First-principles computation of thermodynamic parameters and group additivity contributions for oxygenated fuels and their related radical and intermediate species International Symposium On Combustion Abstracts of Accepted Papers. 421.  1
1999 Park BI, Bozzelli JW, Booty MR, Bernhard MJ, Mesuere K, Pettigrew CA, Shi JC, Simonich SL. Polymer pyrolysis and oxidation studies in a continuous feed and flow reactor: Cellulose and polystyrene Environmental Science and Technology. 33: 2584-2592. DOI: 10.1021/es980796q  1
1999 Chen CJ, Bozzelli JW. Analysis of Tertiary Butyl Radical + O2, Isobutene + HO2, Isobutene + OH, and Isobutene-OH Adducts + O2: A Detailed Tertiary Butyl Oxidation Mechanism Journal of Physical Chemistry A. 103: 9731-9769.  1
1999 Zhu L, Bozzelli JW, Ho WP. Reaction of OH Radical with C2H3Cl: Rate Constant and Reaction Pathway Analysis Journal of Physical Chemistry A. 103: 7800-7810.  1
1999 Bozzelli JW. Kinetic and thermodynamic analysis on oh addition to ethylene: Adduct formation, isomerization, and isomer dissociations Journal of Physical Chemistry A. 103: 7646-7655.  1
1999 Yamada T, Bozzelli JW. Thermodynamic Properties ΔHf 298°, S°298, and Cp(T) for 2-Fluoro-2-MethyIpropane, ΔHf 298° of Fluorinated Ethanes, and Group Additivity for Fluoroalkanes Journal of Physical Chemistry A. 103: 7373-7379.  1
1999 Yamada T, Bozzelli JW, Berry RJ. Thermodynamic Properties (ΔHf(298), S(298), and Cp(T) (300 ≤ T ≤ 1500)) of Fluorinated Propanes Journal of Physical Chemistry A. 103: 5602-5610.  1
1998 Zhu L, Bozzelli JW, Lay TH. Comparison of AM1 and PM3 in MOPAC6 with literature for the thermodynamic parameters of C1 and C2 chlorocarbons Industrial and Engineering Chemistry Research. 37: 3497-3507.  1
1998 Yamada T, Lay TH, Bozzelli JW. Ab initio calculations and internal rotor: Contribution for thermodynamic properties S°298 and Cp(T)'s (300 < T/K < 1500): Group additivity for fluoroethanes Journal of Physical Chemistry A. 102: 7286-7293.  1
1998 Chen CJ, Wong D, Bozzelli JW. Standard chemical thermodynamic properties of multichloro alkanes and alkenes: A modified group additivity scheme Journal of Physical Chemistry A. 102: 4551-4558.  1
1998 Zhong X, Bozzelli JW. Thermochemical and kinetic analysis of the H, OH, HO2, O, and O2 association reactions with cyclopentadienyl radical Journal of Physical Chemistry A. 102: 3537-3555.  1
1998 Dlugogorski BZ, Hichens RK, Kennedy EM, Bozzelli JW. Propagation of laminar flames in wet premixed natural gas-air mixtures Process Safety and Environmental Protection. 76: 81-89.  1
1997 Lay TH, Bozzelli JW. Enthalpies of formation and group additivity of alkyl peroxides and trioxides Journal of Physical Chemistry A. 101: 9505-9510.  1
1997 Zhong X, Bozzelli JW. Thermochemical and kinetic analysis on the addition reactions of H, O, OH, and HO2 with 1,3 cyclopentadiene International Journal of Chemical Kinetics. 29: 893-913.  1
1997 Bozzelli JW, Chang AY, Dean AM. Molecular density of states from estimated vapor phase heat capacities International Journal of Chemical Kinetics. 29: 161-170.  1
1997 Lay TH, Bozzelli JW. Enthalpies of formation of cyclic alkyl peroxides: Dioxirane, 1,2-dioxetane, 1,2-dioxolane, and 1,2-dioxane Chemical Physics Letters. 268: 175-179.  1
1997 Lay TH, Yamada T, Tsai PL, Bozzelli JW. Thermodynamic parameters and group additivity ring corrections for three- to six-membered oxygen heterocyclic hydrocarbons Journal of Physical Chemistry A. 101: 2471-2477.  1
1996 Chern HT, Krasnoperov LN, Bozzelli JW. Modeling of heat transfer in a rotary kiln thermal desorber for removal of petroleum from soils Acs Division of Environmental Chemistry, Preprints. 36: 25-27.  1
1996 Glarborg P, Kubel D, Dam-Johansen K, Chiang HM, Bozzelli JW. Impact of SO2 and NO on CO oxidation under post-flame conditions International Journal of Chemical Kinetics. 28: 773-790.  1
1996 Lay TH, Krasnoperov LN, Venanzi CA, Bozzelli JW, Shokhirev NV. Ab initio study of α-chlorinated ethyl hydroperoxides CH3CH2OOH, CH3CHClOOH, and CH3CCl2OOH: Conformational analysis, internal rotation barriers, vibrational frequencies, and thermodynamic properties Journal of Physical Chemistry. 100: 8240-8249.  1
1996 Lay TH, Bozzelli JW, Seinfeld JH. Atmospheric photochemical oxidation of benzene: Benzene + OH and the benzene-OH adduct (hydroxyl-2,4-cyclohexadienyl) + O2 Journal of Physical Chemistry. 100: 6543-6554.  1
1995 Booty MR, Bozzelli JW, Ho W, Magee RS. Simulation of a Three-Stage Chlorocarbon Incinerator through the Use of a Detailed Reaction Mechanism: Chlorine to Hydrogen Mole Ratios below 0.15. Environmental Science & Technology. 29: 3059-63. PMID 22148216 DOI: 10.1021/es00012a025  1
1995 Bozzelli JW, Kebbekus B, Catherine B. Analysis of selected volatile organic compounds associated with residential kerosene heater use International Journal of Environmental Studies. 49: 125-131. DOI: 10.1080/00207239508711014  1
1994 Thomson MJ, Lucas D, Koshland CP, Sawyer RF, Wu YP, Bozzelli JW. An experimental and numerical study of the high-temperature oxidation of 1,1,1-C2H3Cl3 Combustion and Flame. 98: 155-169. DOI: 10.1016/0010-2180(94)90205-4  1
1993 Wu YG, Patel SN, Ritter ER, Bozzelli JW. Group additivity thermodynamic parameters (terms) for Br, Cl, F, CH3 and OH interactions and CH3 buttress effects in multi-substituted aromatics Thermochimica Acta. 222: 153-185. DOI: 10.1016/0040-6031(93)80550-T  1
1992 Won YS, Bozzelli JW. Chloroform Pyrolysis: Experiment and Detailed Reaction Model Combustion Science and Technology. 85: 345-373. DOI: 10.1080/00102209208947177  1
1982 Bozzelli JW, Russell JF. Airborne asbestos levels in several school buildings before and after bulk asbestos removal International Journal of Environmental Studies. 20: 27-30. DOI: 10.1080/00207238208710010  1
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