Attachment 1 Bibliography of Articles.pdf

2008KUW/DIB216-COMP- Kuwata, K.T.; Dibble, T.S.;

Sliz, E.; Peterson, E.B.;

Abs. Papers Am.

Chem. Soc. 235, 216-

COMP- (2008)

COMP 216-Transition state theory rate constants for intramolecular hydrogen transfer reactions in oxygenated radicals

2008CHE/MIC247-COMP- Chen, C.C.; Michael, M.;

Abs. Papers Am.

Chem. Soc. 235, 247-

COMP- (2008)

COMP 247-The determination of reaction rate constants for H-atom abstraction from N2H4 by H, NH2, CH3, C2H5 and NO2

2008MEZ/DOU98-ENVR-

Mezyk, S.P.; Doud, D.FR.;

Singh, M.K.; Rosario-Ortiz, F.L.; Snyder, S.A.;

Abs. Papers Am.

Chem. Soc. 236, 98-

ENVR- (2008)

ENVR 98-Absolute rate constant measurement for center dot OH reaction with effluent organic matter

2009LIU/REN2541-2548 Liu, Y.; Ren, H.J.; Liu, Y.Q.;

Wang, W.N.;

Acta Chim. Sin. 67, 2541-2548 (2009)

Direct Dynamics Study on the Unimolecular Decomposition Reactions of

H2FCS

2010TAN/FU1093-1097 Tang, X.S.; Fu, P.; Chen, Y.K.;

Wang, H.M.; Chu, Y.N.;

Acta Chim. Sin. 68, 1093-1097 (2010)

Experimental Study on the Reaction between Active Nitrogen with Bromine

2010LU/WAN1253-1260 Lu, Y.X.; Wang, W.L.; Wang, W.N.; Liu, Y.Y.; Zhang, Y.;

Acta Chim. Sin. 68, 1253-1260 (2010)

Mechanistic Study of CH3SO+HO2 Reaction and Rate Constants of Major Channel in the Gas Phase

2010GAI/GE1768-1772 Gai, Y.B.; Ge, M.F.; Wang, W.G.;

Acta Phys. Chim. Sin.

26, 1768-1772 (2010)

Rate Constants for the Gas Phase Reactions of Ozone with Diethylamine and Triethylamine

2010HU/ZHA2619-2624 Hu, R.Z.; Zhang, Q.; Chen, Y.; Acta Phys. Chim. Sin.

26, 2619-2624 (2010)

Temperature Dependence of Reactions of C-2(a(3)Pi(u)) Radical with Several Unsaturated Hydrocarbons

2010KOH/OSS3572-3597

Kohse-Hoinghaus, K.; Osswald, P.; Cool, T.A.; Kasper, T.;

Hansen, N.; Qi, F.; Westbrook, C.K.; Westmoreland, P.R.;

Angew. Chem. 49, 3572-3597 (2010)

Biofuel Combustion Chemistry: From Ethanol to Biodiesel

2010OBA/WATL174- Oba, Y.; Watanabe, N.; Kouchi, A.; Hama, T.; Pirronello, V.;

Astrophys. J. Lett. 712, L174- (2010)

EXPERIMENTAL STUDY OF CO2

FORMATION BY SURFACE

REACTIONS OF NON-ENERGETIC OH

http://dx.doi.org/10.1002/anie.200905335� http://dx.doi.org/10.1088/2041-8205/712/2/L174�

RADICALS WITH CO MOLECULES

2010PAT/WUE10867-10874 Patten, K.O.; Wuebbles, D.J.;

Atmos. Chem. Phys.

10, 10867-10874 (2010)

Atmospheric lifetimes and Ozone Depletion Potentials of trans-1-chloro-3,3,3-trifluoropropylene and trans-1,2-dichloroethylene in a three-dimensional model

2010MAL/GOD1441-1459 Malkin, T.L.; Goddard, A.;

Heard, D.E.; Seakins, P.W.;

Atmos. Chem. Phys.

10, 1441-1459 (2010)

Measurements of OH and HO2 yields from the gas phase ozonolysis of isoprene

2010ANT/JIM1911-1922

Antionolo, M.; Jimenez, E.;

Notario, A.; Martinez, E.;

Albaladejo, J.;

Atmos. Chem. Phys.

10, 1911-1922 (2010)

Tropospheric photooxidation of CF3CH2CHO and CF3(CH2)(2)CHO initiated by Cl atoms and OH radicals

2010ARC/COO8097-8118

Archibald, A.T.; Cooke, M.C.;

Utembe, S.R.; Shallcross, D.E.;

Derwent, R.G.; Jenkin, M.E.;

Atmos. Chem. Phys.

10, 8097-8118 (2010)

Impacts of mechanistic changes on HOx formation and recycling in the oxidation of isoprene

2010WAL/AND1478-1481 Wallington, T.J.; Andersen, M.PS.; Nielsen, O.J.;

Atmos. Environ. 44, 1478-1481 (2010)

Estimated photochemical ozone creation potentials (POCPs) of CF3CF = CH2 (HFO-1234yf) and related hydrofluoroolefins (HFOs)

2010DAL/TAC1749-1753

Dalmasso, P.R.; Taccone, R.A.;

Nieto, J.D.; Cometto, P.M.;

Lane, S.I.;

Atmos. Environ. 44, 1749-1753 (2010)

Kinetic study of the OH reaction with some hydrochloroethers under simulated atmospheric conditions

2010WAN/GE1847-1850 Wang, K.; Ge, M.F.; Wang, W.G.;

Atmos. Environ. 44, 1847-1850 (2010)

Kinetics of the gas-phase reactions of NO3 radicals with ethyl acrylate, n-butyl acrylate, methyl methacrylate and ethyl methacrylate

2010ASC/ARE3970-3975 Aschmann, S.M.; Arey, J.;

Atkinson, R.;

Atmos. Environ. 44, 3970-3975 (2010)

Extent of H-atom abstraction from OH plus p-cymene and upper limits to the formation of cresols from OH plus m-xylene and OH plus p-cymene

2010IAN/KOP4135-4141 Iannone, R.; Koppmann, R.; Atmos. Environ. 44, Stable carbon kinetic isotope effects for the http://dx.doi.org/10.5194/acp-10-10867-2010� http://dx.doi.org/10.5194/acp-10-8097-2010� http://dx.doi.org/10.1016/j.atmosenv.2010.01.040� http://dx.doi.org/10.1016/j.atmosenv.2010.02.006� http://dx.doi.org/10.1016/j.atmosenv.2010.02.039� http://dx.doi.org/10.1016/j.atmosenv.2010.06.059� http://dx.doi.org/10.1016/j.atmosenv.2010.07.046�

Rudolph, J.; 4135-4141 (2010) production of methacrolein and methyl vinyl ketone from the gas-phase reactions of isoprene with ozone and hydroxyl radicals

2010SCH/ZHO5407-5414

Schutze, N.; Zhong, X.Y.;

Kirschbaum, S.; Bejan, I.;

Barnes, I.; Benter, T.;

Atmos. Environ. 44, 5407-5414 (2010)

Relative kinetic measurements of rate coefficients for the gas-phase reactions of Cl atoms and OH radicals with a series of methyl alkyl esters

2009SIN/MIS2973-2978 Singh, H.J.; Mishra, B.K.;

Gour, N.K.;

Bull. Korean Chem.

Soc. 30, 2973-2978 (2009)

Ab Initio Study on the Thermal Decomposition of CH3CF2O Radical

2009ELT1716-1726 El-Taher, S.; Can. J. Chem. 87, 1716-1726 (2009)

Theoretical investigation of the oxidation pathways of HO center dot-initiated reactions of acrolein, methacrolein, and trans-crotonaldehyde

2010LO/MAR1136-1145

Lo, J.MH.; Marriott, R.A.; Giri, B.R.; Roscoe, J.M.;

Klobukowski, M.;

Can. J. Chem. 88, 1136-1145 (2010)

A theoretical analysis of the kinetics of the reaction of atomic bromine with tetrahydrofuran

2010GUT/PEI79-98 Guthrie, J.P.; Peiris, S.; Simkin, M.; Wang, Y.;

Can. J. Chem. 88, 79- 98 (2010)

Rate constants for decarboxylation reactions calculated using no barrier theory

2010ASH/CAR7145-7147

Ashworth, I.W.; Carboni, D.;

Hillier, I.H.; Nelson, D.J.;

Percy, J.M.; Rinaudo, G.;

Vincent, M.A.;

Chem. Commun. 46, 7145-7147 (2010)

On the relationship between structure and reaction rate in olefin ring-closing metathesis

2010CSA/FUR4826-4835 Csaszar, A.G.; Furtenbacher, T.;

Chem. Euro. J. 16, 4826-4835 (2010)

From a Network of Computed Reaction Enthalpies to Atom-Based Thermochemistry (NEAT)

2010WAN/GAO1240-1245 Wang, Y.X.; Gao, H.; Wang, Q.; Liu, J.Y.;

Chem. J. Chin. Univ.

31, 1240-1245 (2010)

Theoretical Study on the Mechanism and Dynamic of CF3 CH2 CH3 Reaction with OH Radicals

2010GIE/RAJ160-164 Gierczak, T.; Rajakumar, B.; Chem. Phys. Lett. 484, Kinetic study of the reaction of the acetyl http://dx.doi.org/10.1016/j.atmosenv.2009.08.011� http://dx.doi.org/10.5012/bkcs.2009.30.12.2973� http://dx.doi.org/10.1139/V09-142� http://dx.doi.org/10.1139/V10-092� http://dx.doi.org/10.1139/V09-164� http://dx.doi.org/10.1039/c0cc02440f� http://dx.doi.org/10.1002/chem.200903252� http://dx.doi.org/10.1016/j.cplett.2009.11.037�

Flad, J.E.; Burkholder, J.B.; 160-164 (2010) radical, CH3CO, with O-3 using cavity ring-down spectroscopy

2010KAI/MEB281-285 Kaiser, R.I.; Mebel, A.; Kostko, O.; Ahmed, M.;

Chem. Phys. Lett. 485, 281-285 (2010) On the ionization energies of C4H3 isomers

2010TAL/BAC56-58 Talbi, D.; Bacchus-Montabonel, M.C.;

Chem. Phys. Lett. 485, 56-58 (2010)

The formation of H2O from the radiative association of O and H-2

2010GOL/SAR7-11 Gola, A.A.; Sarzynski, D.;

Drys, A.; Jodkowski, J.T.;

Chem. Phys. Lett. 486, 7-11 (2010)

Kinetic study of the reaction of chlorine atoms with bromomethane and D-bromomethane in the gas phase

2010KIZ/FEL183-189 Kizilkaya, A.C.; Fellah, M.F.;

Onal, I.;

Chem. Phys. Lett. 487, 183-189 (2010)

Direct gas-phase epoxidation of propylene to propylene oxide through radical reactions: A theoretical study

2010ESK/CAR45-50

Eskola, A.J.; Carr, S.A.; Blitz, M.A.; Pilling, M.J.; Seakins, P.W.;

Chem. Phys. Lett. 487, 45-50 (2010)

Kinetics and yields of OH radical from the CH3OCH2 + O-2 reaction using a new photolytic source

2010ZHU/XU121-125 Zhu, R.S.; Xu, S.C.; Lin, M.C.; Chem. Phys. Lett. 488, 121-125 (2010)

Ab initio chemical kinetics for the reactions of N-2 with singlet and triplet C2O radicals

2010BLA/BAR135-139 Blanco, M.B.; Barnes, I.;

Teruel, M.A.;

Chem. Phys. Lett. 488, 135-139 (2010)

FTIR gas-phase kinetic study of the reactions of Cl atoms with (CH3)(2)C=CHC(O)H and

CH3CH=CHC(O)OCH3

2010FEN/HER140-144 Feng, W.H.; Hershberger, J.F.; Chem. Phys. Lett. 488, 140-144 (2010)

Infrared diode laser study of the kinetics of the NCCO + O-2 reaction

2010CHE/UCH22-26

Chen, L.; Uchimaru, T.;

Kutsuna, S.; Tokuhashi, K.;

Sekiya, A.;

Chem. Phys. Lett. 488, 22-26 (2010)

Kinetics study of gas-phase reactions of erythro/threo-CF3CHFCHFC2F5 with OH radicals at 253-328 K

2010JOR/AND116-122

Jorgensen, S.; Andersen, V.F.;

Nilsson, E.JK.; Nielsen, O.J.;

Johnson, M.S.;

Chem. Phys. Lett. 490, 116-122 (2010)

Theoretical study of the gas phase reaction of methyl acetate with the hydroxyl radical:

Structures, mechanisms, rates and temperature dependencies http://dx.doi.org/10.1016/j.cplett.2009.12.027� http://dx.doi.org/10.1016/j.cplett.2009.12.045� http://dx.doi.org/10.1016/j.cplett.2009.12.076� http://dx.doi.org/10.1016/j.cplett.2010.01.036� http://dx.doi.org/10.1016/j.cplett.2010.01.025� http://dx.doi.org/10.1016/j.cplett.2010.02.003� http://dx.doi.org/10.1016/j.cplett.2010.02.023� http://dx.doi.org/10.1016/j.cplett.2010.02.029� http://dx.doi.org/10.1016/j.cplett.2010.02.004� http://dx.doi.org/10.1016/j.cplett.2010.03.031�

2010TUC/BRA127-131 Tucceri, M.E.; Bracco, L.B.;

Cobos, C.J.;

Chem. Phys. Lett. 490, 127-131 (2010)

Theoretical study of the molecular properties and the formation kinetics of the FS(O-2)OCO radical

2010WAN/GE29-33 Wang, K.; Ge, M.F.; Wang, W.G.;

Chem. Phys. Lett. 490, 29-33 (2010)

Kinetics of the gas-phase reactions of 5-hexen-2-one with OH and NO3 radicals and O-3

2010LON/TAN214-219 Long, B.; Tan, X.F.; Ren, D.S.;

Zhang, W.J.;

Chem. Phys. Lett. 492, 214-219 (2010)

Theoretical studies on energetics and mechanisms of the decomposition of

CF3OH

2010KAI/CAR226-234 Kaiser, R.I.; Carrier, W.;

Osamura, Y.; Mahfouz, R.M.;

Chem. Phys. Lett. 492, 226-234 (2010)

Infrared spectroscopic detection of the methylgermyl (H2GeCH3) radical and its perdeuterated counterpart in low temperature matrices

2010NIL/HOF160-162 Nilsson, E.JK.; Hoff, J.;

Nielsen, O.J.; Johnson, M.S.;

Chem. Phys. Lett. 494, 160-162 (2010)

Kinetics of the reaction of Cl atoms with CHCl3 over the temperature range 253-313 K

2010IWA/CHI174-178

Iwasaki, E.; Chiba, H.;

Nakayama, T.; Matsumi, Y.;

Wallington, T.J.;

Chem. Phys. Lett. 494, 174-178 (2010)

PLP-LIF study of the reactions of chlorine atoms with C2H2, C2H4, and C3H6 in 2- 100 Torr of N-2 diluent at 295 K

2010GOO/VAH315-322 Goodarzi, M.; Vahedpour, M.;

Nazari, F.;

Chem. Phys. Lett. 494, 315-322 (2010)

Theoretical study on the atmospheric formation of cis and trans-OSSO complexes

2010GHO/PAR8-13 Ghosh, B.; Park, J.; Anderson, K.C.; North, S.W.;

Chem. Phys. Lett. 494, 8-13 (2010)

OH initiated oxidation of 1,3-butadiene in the presence of O-2 and NO

2010DIB/ZEN170-174 Dibble, T.S.; Zeng, Y.; Chem. Phys. Lett. 495, 170-174 (2010)

Potential energy profiles for the N plus HOCO reaction and products of the chemically activated reactions N plus HOCO and H plus HOCO

2010ZUG/SZI179-181

Zugner, G.L.; Szilagyi, I.;

Zador, J.; Szabo, E.; Dobe, S.;

Song, X.L.; Wang, B.S.;

Chem. Phys. Lett. 495, 179-181 (2010)

OH yields for C2H5CO + O-2 at low pressure: Experiment and theory http://dx.doi.org/10.1016/j.cplett.2010.03.036� http://dx.doi.org/10.1016/j.cplett.2010.03.023� http://dx.doi.org/10.1016/j.cplett.2010.04.052� http://dx.doi.org/10.1016/j.cplett.2010.04.033� http://dx.doi.org/10.1016/j.cplett.2010.06.026� http://dx.doi.org/10.1016/j.cplett.2010.06.034� http://dx.doi.org/10.1016/j.cplett.2010.06.001� http://dx.doi.org/10.1016/j.cplett.2010.05.056� http://dx.doi.org/10.1016/j.cplett.2010.06.075� http://dx.doi.org/10.1016/j.cplett.2010.06.089�

2010GRU/COO182-186 Grubbs, G.S.; Cooke, S.A.; Chem. Phys. Lett. 495, 182-186 (2010)

Conformational energies of C4F9OC2H5

(HFE-7200)

2010SUN/ZHU33-39

Sun, D.Z.; Zhu, Y.Y.; Wei, D.H.; Zhang, C.; Zhang, W.J.;

Tang, M.S.;

Chem. Phys. Lett. 495, 33-39 (2010)

Insight into the multicomponent reaction mechanisms of prop-2-en-1-amine and ethyl propiolate with alloxan derivative: A density functional theory study

2010ELK/GEO68-73

El-Khoury, P.Z.; George, L.;

Kalume, A.; Schapiro, I.;

Olivucci, M.; Tarnovsky, A.N.;

Reid, S.A.;

Chem. Phys. Lett. 496, 68-73 (2010)

Matrix isolation and computational studies of the CF2I radical

2010GOO/VAH1-6 Goodarzi, M.; Vahedpour, M.;

Nazari, F.;

Chem. Phys. Lett. 497, 1-6 (2010)

Theoretical study on the mechanism of S-2 + O-2 reaction

2010ASS/RED123-128

Assary, R.S.; Redfern, P.C.;

Hammond, J.R.; Greeley, J.;

Curtiss, L.A.;

Chem. Phys. Lett. 497, 123-128 (2010)

Predicted thermochemistry for chemical conversions of 5-hydroxymethylfurfural

2010CHE/JIA153-158 Chen, H.L.; Jian, R.C.; Tsai, C.T.;

Chem. Phys. Lett. 497, 153-158 (2010)

Reaction mechanisms and kinetics for diazomethyl radical with NO: A computational study

2010YAN/VAR159-162 Yang, H.A.; Varandas, A.JC.; Chem. Phys. Lett. 497, 159-162 (2010)

Adiabatic quantum dynamics calculations of the rate constant for the N plus NH -> N- 2 + H reaction

2010VAS/DAV26-29 Vasu, S.S.; Davidson, D.F.;

Hanson, R.K.; Golden, D.M.;

Chem. Phys. Lett. 497, 26-29 (2010)

Measurements of the reaction of OH with n-butanol at high-temperatures

2010CUR/RED168-172 Curtiss, L.A.; Redfern, P.C.;

Raghavachari, K.;

Chem. Phys. Lett. 499, 168-172 (2010)

Assessment of Gaussian-4 theory for energy barriers

2010JAV/MEV223-228 Javoy, S.; Mevel, R.; Dupre, G.; Chem. Phys. Lett. 500, 223-228 (2010)

Oxygen atom kinetics in silane-hydrogen-nitrous oxide mixtures behind reflected shock waves

2010IUG/ALV11-15 Iuga, C.; Alvarez-Idaboy, J.R.;

Vivier-Bunge, A.;

Chem. Phys. Lett. 501, 11-15 (2010)

Single water-molecule catalysis in the glyoxal plus OH reaction under http://dx.doi.org/10.1016/j.cplett.2010.07.004� http://dx.doi.org/10.1016/j.cplett.2010.06.039� http://dx.doi.org/10.1016/j.cplett.2010.07.032� http://dx.doi.org/10.1016/j.cplett.2010.07.084� http://dx.doi.org/10.1016/j.cplett.2010.07.082� http://dx.doi.org/10.1016/j.cplett.2010.08.004� http://dx.doi.org/10.1016/j.cplett.2010.08.005� http://dx.doi.org/10.1016/j.cplett.2010.08.001� http://dx.doi.org/10.1016/j.cplett.2010.09.012� http://dx.doi.org/10.1016/j.cplett.2010.10.020� http://dx.doi.org/10.1016/j.cplett.2010.10.043� tropospheric conditions: Fact or fiction? A quantum chemistry and pseudo-second order computational kinetic study

2010SHA/YAO134-139 Shao, Y.; Yao, L.; Mao, Y.C.;

Zhong, J.J.;

Chem. Phys. Lett. 501, 134-139 (2010)

Anharmonic effect of dissociation rate constant of the ethoxy radical

2010DU/FEN52-61 Du, B.N.; Feng, C.J.; Zhang, W.C.; Mu, L.L.;

Chem. Phys. 367, 52- 61 (2010)

Theoretical study on the mechanism for the reaction of OH with CH2 =

CHCH2CH2OH

2010JIA/WAN108-112 Jiang, L.; Wang, W.; Xu, Y.S.; Chem. Phys. 368, 108- 112 (2010)

Ab initio investigation of O-3 addition to double bonds of limonene

2010WEI/LI58-61 Wei, Q.; Li, X.; Li, T.; Chem. Phys. 368, 58- 61 (2010)

Theoretical study of stereodynamics for the O(P-3) + H-2 (nu=0-2, j=0) -> OH plus H reaction

2010SAB/REY195-210 Sabbe, M.K.; Reyniers, M.F.;

Waroquier, M.; Marin, G.B.;

CHEMPHYSCHEM

11, 195-210 (2010)

Hydrogen Radical Additions to Unsaturated Hydrocarbons and the Reverse beta- Scission Reactions: Modeling of Activation Energies and Pre-Exponential Factors

2010KER/PIC3909-3920 Kerdouci, J.; Picquet-Varrault, B.; Doussin, J.F.;

CHEMPHYSCHEM

11, 3909-3920 (2010)

Prediction of Rate Constants for Gas-Phase Reactions of Nitrate Radical with Organic Compounds: A New Structure-Activity Relationship

2010GRA/BLI3928-3941 Gravestock, T.J.; Blitz, M.A.;

Bloss, W.J.; Heard, D.E.;

CHEMPHYSCHEM

11, 3928-3941 (2010)

A Multidimensional Study of the Reaction CH2I + O-2: Products and Atmospheric Implications

2010DAR/BER4002-4010

Daranlot, J.; Bergeat, A.;

Caralp, F.; Caubet, P.; Costes, M.; Forst, W.; Loison, J.C.;

Hickson, K.M.;

CHEMPHYSCHEM

11, 4002-4010 (2010)

Gas-Phase Kinetics of Hydroxyl Radical Reactions with Alkenes: Experiment and Theory

2010COM/TAC4053-4059 Cometto, P.M.; Taccone, R.A.;

Nieto, J.D.; Dalmasso, P.R.;

CHEMPHYSCHEM

11, 4053-4059 (2010)

Kinetic Study of OH Radical Reactions with CF3CCl=CCl2, CF3CCl=CClCF3 and http://dx.doi.org/10.1016/j.cplett.2010.10.041� http://dx.doi.org/10.1016/j.chemphys.2009.10.022� http://dx.doi.org/10.1016/j.chemphys.2010.01.003� http://dx.doi.org/10.1016/j.chemphys.2009.12.009� http://dx.doi.org/10.1002/cphc.200900509� http://dx.doi.org/10.1002/cphc.201000673� http://dx.doi.org/10.1002/cphc.201000575� http://dx.doi.org/10.1002/cphc.201000467� http://dx.doi.org/10.1002/cphc.201000430�

Lane, S.I.; CF3CF=CFCF3

2010ALM/VIE4069-4078

Al Mulla, I.; Viera, L.; Morris, R.; Sidebottom, H.; Treacy, J.;

Mellouki, A.;

CHEMPHYSCHEM

11, 4069-4078 (2010)

Kinetics and Mechanisms for the Reactions of Ozone with Unsaturated Oxygenated Compounds

2010JIM/ANT4079-4087

Jimenez, E.; Antinolo, M.;

Ballesteros, B.; Martinez, E.;

Albaladejo, J.;

CHEMPHYSCHEM

11, 4079-4087 (2010)

Atmospheric Lifetimes and Global Warming Potentials of CF3CH2CH2OH and CF3(CH2)(2)CH2OH

2010BEC/BOG419-428

Becerra, R.; Boganov, S.E.;

Egorov, M.P.; Krylova, I.V.;

Nefedov, O.M.; Promyslov, V.M.; Walsh, R.;

CHEMPHYSCHEM

11, 419-428 (2010)

Gas-Phase Kinetics of Chlorosilylene Reactions II. ClSiH + C2H4: Absolute Rate Measurements and Quantum Chemical and RRKM Calculations for the Prototype pi Addition Reaction

2010GAR/MOR442-451

Garzon, A.; Moral, M.; Notario, A.; Ceacero-Vega, A.A.;

Fernandez-Gomez, M.;

Albaladejo, J.;

CHEMPHYSCHEM

11, 442-451 (2010)

Atmospheric Reactions of (H)- and (D)- Fluoroalcohols with Chlorine Atoms

2009XIA/WAN673-680

Xiang, T.C.; Wang, H.; Liu, K.H.; Zhao, H.M.; Wu, W.Q.;

Su, H.M.;

Chin. J. Chem. Phys.

22, 673-680 (2009)

Reaction of C2HCl2+O-2: Combined TR- FTIR Spectroscopy and Electronic Structure

2010LI/XIE310-312 Li, Y.M.; Xie, Z.M.; Dang, Q.O.;

Chin. J. Chem. Phys.

23, 310-312 (2010)

Theoretical Studies of O(D-1)+HD (v=0, j=0, 1, 2, 3)-> OD(H) plus H(D) Reaction

2010LU/HAN533-537 Lu, X.H.; Han, J.F.; Yu, H.B.;

Lian, Z.X.;

Chin. J. Chem. Phys.

23, 533-537 (2010)

Ab initio Study on Mechanism of Forming a Silicic Bis-Heterocyclic Compound Between Dimethylmethylenesilylene and Ethene

2010WAN/ZHU2951-2955 Wang, H.T.; Zhu, D.S.; Wang, W.P.; Mu, Y.J.;

Chin. Sci. Bull. 55, 2951-2955 (2010)

The impact of HS radicals on the measured rate constant of H2S with OH radicals

2010BAX/HAK1220-1229

Bax, S.; Hakka, M.H.; Glaude, P.A.; Herbinet, O.; Battin- Leclerc, F.;

Combust. Flame 157, 1220-1229 (2010)

Experimental study of the oxidation of methyl oleate in a jet-stirred reactor http://dx.doi.org/10.1002/cphc.201000404� http://dx.doi.org/10.1002/cphc.201000365� http://dx.doi.org/10.1002/cphc.200900490� http://dx.doi.org/10.1002/cphc.200900485� http://dx.doi.org/10.1088/1674-0068/22/06/673-680� http://dx.doi.org/10.1088/1674-0068/23/03/310-312� http://dx.doi.org/10.1088/1674-0068/23/05/533-537� http://dx.doi.org/10.1007/s11434-010-3268-3� http://dx.doi.org/10.1016/j.combustflame.2009.12.008�

2010KAT/FIK1261-1273

Kathrotia, T.; Fikri, M.;

Bozkurt, M.; Hartmann, M.;

Riedel, U.; Schulz, C.;

Combust. Flame 157, 1261-1273 (2010)

Study of the H plus O plus M reaction forming OH center dot: Kinetics of OH center dot chemiluminescence in hydrogen combustion systems

2010ALT/DLU1325-1330

Altarawneh, M.; Dlugogorski, B.Z.; Kennedy, E.M.; Mackie, J.C.;

Combust. Flame 157, 1325-1330 (2010)

Theoretical study of reactions of HO2 in low-temperature oxidation of benzene

2010SHA/HAR1331-1345 Sharma, S.; Harper, M.R.;

Green, W.H.;

Combust. Flame 157, 1331-1345 (2010)

Modeling of 1,3-hexadiene, 2,4-hexadiene and 1,4-hexadiene-doped methane flames:

Flame modeling, benzene and styrene formation

2010NIZ/BOG1382-1389 Nizovtsev, A.S.; Bogdanchikov, G.A.; Baklanov, A.V.;

Combust. Flame 157, 1382-1389 (2010)

The computational study of the "inversion substitution" reactions CX3Br + O-2 -> CX3O2 + Br (X = H, F)

2010HEA/DON1526-1539

Healy, D.; Donato, N.S.; Aul, C.J.; Petersen, E.L.; Zinner, C.M.; Bourque, G.; Curran, H.J.;

Combust. Flame 157, 1526-1539 (2010) n-Butane: Ignition delay measurements at high pressure and detailed chemical kinetic simulations

2010HEA/DON1540-1551

Healy, D.; Donato, N.S.; Aul, C.J.; Petersen, E.L.; Zinner, C.M.; Bourque, G.; Curran, H.J.;

Combust. Flame 157, 1540-1551 (2010)

Isobutane ignition delay time measurements at high pressure and detailed chemical kinetic simulations

2010LAM/DES1929-1941 Lamoureux, N.; Desgroux, P.;

El Bakali, A.; Pauwels, J.F.;

Combust. Flame 157, 1929-1941 (2010)

Experimental and numerical study of the role of NCN in prompt-NO formation in low-pressure CH4-O-2-N-2 and C2H2-O-2- N-2 flames

2010VEL/WAN1989-2004

Veloo, P.S.; Wang, Y.L.;

Egolfopoulos, F.N.; Westbrook, C.K.;

Combust. Flame 157, 1989-2004 (2010)

A comparative experimental and computational study of methanol, ethanol, and n-butanol flames

2010FRA/CUO2-16 Frassoldati, A.; Cuoci, A.; Combust. Flame 157, An experimental and kinetic modeling study http://dx.doi.org/10.1016/j.combustflame.2010.04.003� http://dx.doi.org/10.1016/j.combustflame.2009.12.020� http://dx.doi.org/10.1016/j.combustflame.2010.02.012� http://dx.doi.org/10.1016/j.combustflame.2009.11.004� http://dx.doi.org/10.1016/j.combustflame.2010.01.016� http://dx.doi.org/10.1016/j.combustflame.2010.01.011� http://dx.doi.org/10.1016/j.combustflame.2010.03.013� http://dx.doi.org/10.1016/j.combustflame.2010.04.001� http://dx.doi.org/10.1016/j.combustflame.2009.09.002�

Faravelli, T.; Niemann, U.;

Ranzi, E.; Seiser, R.; Seshadri, K.;

2-16 (2010) of n-propanol and iso-propanol combustion

2010GLA/HER2035-2050

Glaude, P.A.; Herbinet, O.;

Bax, S.; Biet, J.; Warth, V.;

Battin-Leclerc, F.;

Combust. Flame 157, 2035-2050 (2010)

Modeling of the oxidation of methyl esters- Validation for methyl hexanoate, methyl heptanoate, and methyl decanoate in a jet-stirred reactor

2010GRA/FRA2137-2154

Grana, R.; Frassoldati, A.;

Faravelli, T.; Niemann, U.;

Ranzi, E.; Seiser, R.; Cattolica, R.; Seshadri, K.;

Combust. Flame 157, 2137-2154 (2010)

An experimental and kinetic modeling study of combustion of isomers of butanol

2010DAS/BOZ2175-2183 da Silva, G.; Bozzelli, J.W.; Combust. Flame 157, 2175-2183 (2010) On the reactivity of methylbenzenes

2010GIM/MIL267-276 Gimenez-Lopez, J.; Millera, A.;

Bilbao, R.; Alzueta, M.U.;

Combust. Flame 157, 267-276 (2010)

HCN oxidation in an O-2/CO2 atmosphere:

An experimental and kinetic modeling study

2010BLA/CUR363-373 Black, G.; Curran, H.J.; Pichon, S.; Simmie, J.M.; Zhukov, V.;

Combust. Flame 157, 363-373 (2010)

Bio-butanol: Combustion properties and detailed chemical kinetic model

2010SAR/THO837-838

Sarathy, S.M.; Thomson, M.J.;

Togbe, C.; Dagaut, P.; Halter, F.; Mounaim-Rousselle, C.;

Combust. Flame 157, 837-838 (2010)

An experimental and kinetic modeling study of n-butanol combustion (vol 156, pg 852, 2009)

2010HER/PIT893-908 Herbinet, O.; Pitz, W.J.;

Westbrook, C.K.;

Combust. Flame 157, 893-908 (2010)

Detailed chemical kinetic mechanism for the oxidation of biodiesel fuels blend surrogate

2011HAR/VAN16-41

Harper, M.R.; Van Geem, K.M.; Pyl, S.P.; Marin, G.B.;

Green, W.H.;

Combust. Flame 158, 16-41 (2011)

Comprehensive reaction mechanism for n-butanol pyrolysis and combustion

2011OSS/GUL2-15

Osswald, P.; Guldenberg, H.;

Kohse-Hoinghaus, K.; Yang, B.; Yuan, T.; Qi, F.;

Combust. Flame 158, 2-15 (2011)

Combustion of butanol isomers - A detailed molecular beam mass spectrometry investigation of their flame chemistry

2010AGA/SMI1645-1671 Agafonov, G.L.; Smirnov, Combust. Sci. Technol. A Shock-Tube and Modeling Study of Soot http://dx.doi.org/10.1016/j.combustflame.2010.03.012� http://dx.doi.org/10.1016/j.combustflame.2010.05.009� http://dx.doi.org/10.1016/j.combustflame.2010.06.001� http://dx.doi.org/10.1016/j.combustflame.2009.07.016� http://dx.doi.org/10.1016/j.combustflame.2009.07.007� http://dx.doi.org/10.1016/j.combustflame.2009.05.001� http://dx.doi.org/10.1016/j.combustflame.2009.10.013� http://dx.doi.org/10.1016/j.combustflame.2010.06.002� http://dx.doi.org/10.1016/j.combustflame.2010.06.003� http://dx.doi.org/10.1080/00102202.2010.497331�

V.N.; Vlasov, P.A.; 182, 1645-1671 (2010) Formation During Pyrolysis of Propane, Propane/Toluene and Rich Propane/Oxygen Mixtures

2010POW/PAP252-283 Powell, O.A.; Papas, P.; Dreyer, C.B.;

Combust. Sci. Technol.

182, 252-283 (2010)

HYDROGEN- AND C-1-C-3

HYDROCARBON-NITROUS OXIDE

KINETICS IN FREELY PROPAGATING

AND BURNER-STABILIZED FLAMES,

SHOCK TUBES, AND FLOW

REACTORS

2010MUR/BOZ529-543 Murua, I.A.; Bozzelli, J.W.; Combust. Sci. Technol.

182, 529-543 (2010)

Gas-Phase Mercury Conversion in H2, O2, Chloro C1-Hydrocarbon, and NOx Combustion Effluent from Use of an Elementary Kinetic Mechanism

2010SER/BLA574-587 Serinyel, Z.; Black, G.; Curran, H.J.; Simmie, J.M.;

Combust. Sci. Technol.

182, 574-587 (2010)

A Shock Tube and Chemical Kinetic Modeling Study of Methy Ethyl Ketone Oxidation

2010FRA/CUO653-667 Frassoldati, A.; Cuoci, A.;

Faravelli, T.; Ranzi, E.;

Combust. Sci. Technol.

182, 653-667 (2010)

Kinetic Modeling of the Oxidation of Ethanol and Gasoline Surrogate Mixtures

2010BEC/WAL9217-9228 Becerra, R.; Walsh, R.; Dalton Trans. 39, 9217-9228 (2010)

Kinetic studies of reactions of organosilylenes: what have they taught us?

2010SAD/JON1274-1282 Saddawi, A.; Jones, J.M.;

Williams, A.; Wojtowicz, M.A.;

Energy Fuels 24, 1274- 1282 (2010)

Kinetics of the Thermal Decomposition of Biomass

2010HEA/KOP1617-1627

Healy, D.; Kopp, M.M.; Polley, N.L.; Petersen, E.L.; Bourque, G.; Curran, H.J.;

Energy Fuels 24, 1617- 1627 (2010)

Methane/n-Butane Ignition Delay Measurements at High Pressure and Detailed Chemical Kinetic Simulations

2010RAM/HAD1668-1676

Ramirez, H.P.; Hadj-Ali, K.;

Dievart, P.; Moreac, G.;

Dagaut, P.;

Energy Fuels 24, 1668- 1676 (2010)

Kinetics of Oxidation of Commercial and Surrogate Diesel Fuels in a Jet-Stirred Reactor: Experimental and Modeling Studies

2010BES/BUC2857-2867 Beste, A.; Buchanan, A.C.; Energy Fuels 24, 2857- Substituent Effects on the Reaction Rates of http://dx.doi.org/10.1080/00102200903357724� http://dx.doi.org/10.1080/00102200903463233� http://dx.doi.org/10.1080/00102200903466129� http://dx.doi.org/10.1080/00102200903466368� http://dx.doi.org/10.1039/c0dt00198h� http://dx.doi.org/10.1021/ef900933k� http://dx.doi.org/10.1021/ef901292j� http://dx.doi.org/10.1021/ef9015526� http://dx.doi.org/10.1021/ef1001953�

2867 (2010) Hydrogen Abstraction in the Pyrolysis of Phenethyl Phenyl Ethers

2010TOG/DAY3906-3916 Togbe, C.; Dayma, G.; Mze- Ahmed, A.; Dagaut, P.;

Energy Fuels 24, 3906- 3916 (2010)

Experimental and Modeling Study of the Kinetics of Oxidation of Simple Biodiesel- Biobutanol Surrogates: Methyl Octanoate- Butanol Mixtures

2010AKI/BER396-403 Akih-Kumgeh, B.; Bergthorson, J.M.;

Energy Fuels 24, 396- 403 (2010)

Shock Tube Study of Methyl Formate Ignition

2010TOG/MZE5244-5256 Togbe, C.; Mze-Ahmed, A.;

Dagaut, P.;

Energy Fuels 24, 5244- 5256 (2010)

Kinetics of Oxidation of 2-Butanol and Isobutanol in a Jet-Stirred Reactor:

Experimental Study and Modeling Investigation

2010LIN/GUA5418-5425 Lin, H.; Guan, B.; Cheng, Q.;

Huang, Z.;

Energy Fuels 24, 5418- 5425 (2010)

An Investigation on the Principal Paths to Plasma Oxidation of Propylene and NO

2010CAL/GRA5727-5734

Calonaci, M.; Grana, R.;

Hemings, E.B.; Bozzano, G.;

Dente, M.; Ranzi, E.;

Energy Fuels 24, 5727- 5734 (2010)

Comprehensive Kinetic Modeling Study of Bio-oil Formation from Fast Pyrolysis of Biomass

2010NOO/AKI5834-5843 Noorani, K.E.; Akih-Kumgeh, B.; Bergthorson, J.M.;

Energy Fuels 24, 5834- 5843 (2010)

Comparative High Temperature Shock Tube Ignition of C1-C4 Primary Alcohols

2010DEL/LAM587-591

Dellinger, B.; Lamb, C.W.;

Kumar, P.; Lanza, R.; Wagner, M.;

Environ. Eng. Sci. 27, 587-591 (2010)

Theoretical Estimation of Incinerability of Halons and Hydrochlorofluorocarbons

2010POR/GAR539-546

Porrero, M.PM.; Garcia, M.PGI.; Ruiz, J.LE.; Valle, A.T.; Galan, B.C.; Munoz, M.SS.;

Environ. Sci. Pollut.

Res. 17, 539-546 (2010)

Gas phase reactions of unsaturated esters with Cl atoms

2010XU/WAN1399-1404

Xu, F.; Wang, H.; Zhang, Q.Z.;

Zhang, R.X.; Qu, X.H.; Wang, W.X.;

Environ. Sci. Technol.

44, 1399-1404 (2010)

Kinetic Properties for the Complete Series Reactions of Chlorophenols with OH Radicals-Relevance for Dioxin Formation

2010DAS/GRA250-256 Da Silva, G.; Graham, C.; Environ. Sci. Technol. Unimolecular beta-Hydroxyperoxy Radical http://dx.doi.org/10.1021/ef100484q� http://dx.doi.org/10.1021/ef900899g� http://dx.doi.org/10.1021/ef1008488� http://dx.doi.org/10.1021/ef100451x� http://dx.doi.org/10.1021/ef1008902� http://dx.doi.org/10.1021/ef1009692� http://dx.doi.org/10.1089/ees.2009.0393� http://dx.doi.org/10.1007/s11356-009-0220-7� http://dx.doi.org/10.1021/es9031776� http://dx.doi.org/10.1021/es900924d�

Wang, Z.F.; 44, 250-256 (2010) Decomposition with OH Recycling in the Photochemical Oxidation of Isoprene

2010WAN/ATK2981-2987 Wang, L.; Atkinson, R.; Arey, J.;

Environ. Sci. Technol.

44, 2981-2987 (2010)

Comparison of Alkylnitronaphthalenes Formed in NO3 and OH Radical-Initiated Chamber Reactions with those Observed in Ambient Air

2010ASC/TUA3825-3831 Aschmann, S.M.; Tuazon, E.C.;

Arey, J.; Atkinson, R.;

Environ. Sci. Technol.

44, 3825-3831 (2010)

Products and Mechanisms of the Gas-Phase Reactions of OH Radicals with 1-Octene and 7-Tetradecene in the Presence of NO

2010CHE/MAC4149-4154

Chen, K.; Mackie, J.C.;

Kennedy, E.M.; Dlugogorski, B.Z.;

Environ. Sci. Technol.

44, 4149-4154 (2010)

Thermal Decomposition of Captan and Formation Pathways of Toxic Air Pollutants

2010PIC/SCA4615-4621 Picquet-Varrault, B.;

Scarfogliero, M.; Doussin, J.F.;

Environ. Sci. Technol.

44, 4615-4621 (2010)

Atmospheric Reactivity of Vinyl Acetate:

Kinetic and Mechanistic Study of Its Gas- Phase Oxidation by OH, O-3, and NO3

2010COL/OCO6718-6723 Cole-Filipiak, N.C.; O'Connor, A.E.; Elrod, M.J.;

Environ. Sci. Technol.

44, 6718-6723 (2010)

Kinetics of the Hydrolysis of Atmospherically Relevant Isoprene-Derived Hydroxy Epoxides

2010BLA/BEJ7031-7036 Blanco, M.B.; Bejan, I.; Barnes, I.; Wiesen, P.; Teruel, M.A.;

Environ. Sci. Technol.

44, 7031-7036 (2010)

FTIR Product Distribution Study of the Cl and OH Initiated Degradation of Methyl Acrylate at Atmospheric Pressure

2010MAS/ARE707-713 Mason, S.A.; Arey, J.;

Atkinson, R.;

Environ. Sci. Technol.

44, 707-713 (2010)

Kinetics and Products of the OH Radical- Initiated Reaction of 1,4-Butanediol and Rate Constants for the Reactions of OH Radicals with 4-Hydroxybutanal and 3- Hydroxypropanal

2010PHI/CHI7431-7436 Phillips, K.L.; Chiu, P.C.;

Sandler, S.I.;

Environ. Sci. Technol.

44, 7431-7436 (2010)

Reduction Rate Constants for Nitroaromatic Compounds Estimated from Adiabatic Electron Affinities

2010MOR/LEP155-171 Morales, S.B.; Le Picard, S.D.; Farad. Disc. 147, 155- Experimental measurements of low http://dx.doi.org/10.1021/es903369c� http://dx.doi.org/10.1021/es100550n� http://dx.doi.org/10.1021/es9037935� http://dx.doi.org/10.1021/es902037p� http://dx.doi.org/10.1021/es1019228� http://dx.doi.org/10.1021/es101831r� http://dx.doi.org/10.1021/es902666y� http://dx.doi.org/10.1021/es100142v� http://dx.doi.org/10.1039/c004219f�

Canosa, A.; Sims, I.R.; 171 (2010) temperature rate coefficients for neutral-neutral reactions of interest for atmospheric chemistry of Titan, Pluto and Triton:

Reactions of the CN radical

2010GAN/BLI173-188

Gannon, K.L.; Blitz, M.A.;

Liang, C.H.; Pilling, M.J.;

Seakins, P.W.; Glowacki, D.R.;

Harvey, J.N.;

Farad. Disc. 147, 173- 188 (2010)

An experimental and theoretical investigation of the competition between chemical reaction and relaxation for the reactions of (CH2)-C-1 with acetylene and ethene: implications for the chemistry of the giant planets

2010VAN/PYL10399-10420

Van Geem, K.M.; Pyl, S.P.;

Marin, G.B.; Harper, M.R.;

Green, W.H.;

Ind. Eng. Chem. Res.

49, 10399-10420 (2010)

Accurate High-Temperature Reaction Networks for Alternative Fuels: Butanol Isomers

2010HAN/KEN8406-8414

Han, W.F.; Kennedy, E.M.;

Mackie, J.C.; Dlugogorski, B.Z.;

Ind. Eng. Chem. Res.

49, 8406-8414 (2010)

Effect of Methanol on the Gas-Phase Reaction of Trifluoromethane with Methane

2010SIN/GOU1565-1570 Singh, H.J.; Gour, N.K.; Indian J. Chem. B 49, 1565-1570 (2010)

Recombination of propargyl radicals to form benzene: A computational study

2010KUM/YUS216-223 Kumar, R.; Yusuf, M.; Indian J. Chem. B 49, 216-223 (2010)

Synthesis and photochemical H-abstractions of some 2-thienyl/furyl-3-allyloxybischromones

2010WIS/WRZ1-9 Wisniewska, J.; Wrzeszcz, G.;

Koter, S.;

Int. J. Chem. Kinet. 42, 1-9 (2010)

Formation of a Promazine Radical and Promazine 5-Oxide in the Reaction of Promazine with Hydrogen Peroxide:

Mechanistic Insight from Kinetic and EPR Measurements

2010RAJ/MCC10-24

Rajakumar, B.; McCabe, D.C.;

Talukdar, R.K.; Ravishankara, A.R.;

Int. J. Chem. Kinet. 42, 10-24 (2010)

Rate Coefficients for the Reactions of OH with n-Propanol and iso-Propanol between 237 and 376 K

2010KAI/WAL113-116 Kaiser, E.W.; Wallington, T.J.; Int. J. Chem. Kinet. 42, Rate Constant of the Reaction of Chlorine http://dx.doi.org/10.1039/c004131a� http://dx.doi.org/10.1021/ie1005349� http://dx.doi.org/10.1021/ie100349x� http://dx.doi.org/10.1002/kin.20454� http://dx.doi.org/10.1002/kin.20456� http://dx.doi.org/10.1002/kin.20474�

113-116 (2010) Atoms with Methanol over the Temperature Range 291-475 K

2010TAK/HUR151-158 Takahashi, K.; Hurley, M.D.;

Wallington, T.J.;

Int. J. Chem. Kinet. 42, 151-158 (2010)

Kinetics and Mechanisms of OH-Initiated Oxidation of Small Unsaturated Alcohols

2010HWA/COO168-180 Hwang, S.M.; Cooke, J.A.;

Dewitt, K.J.; Rabinowitz, M.J.;

Int. J. Chem. Kinet. 42, 168-180 (2010)

Determination of the Rate Coefficients of the SO2 + O + M -> SO3 + M Reaction

2010SNI/ASA181-199 Snitsiriwat, S.; Asatryan, R.;

Bozzelli, J.W.;

Int. J. Chem. Kinet. 42, 181-199 (2010)

Thermochemical Properties for n-Propyl, iso-Propyl, and tert-Butyl Nitroalkanes, Alkyl Nitrites, and Their Carbon-Centered Radicals

2010WES/MAG200-201 West, R.H.; Magoon, G.R.; Int. J. Chem. Kinet. 42, 200-201 (2010)

Letter to the Editor: Electronic Data Formats for Open Storage of Published Chemical Kinetic Data

2010ELG/BOU203-210 El Guesmi, N.; Boubaker, T.;

Goumont, R.;

Int. J. Chem. Kinet. 42, 203-210 (2010)

Activation of the Aromatic System by the SO2CF3 Group: Kinetics Study and Structure-Reactivity Relationships

2010XU/KIE211-220 Xu, H.; Kiefer, J.H.; Int. J. Chem. Kinet. 42, 211-220 (2010)

Shock Tube Study of 1,3,5-Triazine Dissociation and Relaxation and Relaxation of Pyrazine

2010WEI/EAR221-225

Weisshaar, D.E.; Earl, G.W.;

Villa, E.M.; Zierke, J.L.; Fry, C.I.; Becvar, K.L.; Li, S.K.;

Schafer, M.C.;

Int. J. Chem. Kinet. 42, 221-225 (2010)

Kinetic Study of the Reaction of Dimethyl Carbonate with Trialkylamines

2010HAK/BEN226-252

Hakka, M.H.; Bennadji, H.;

Biet, J.; Yahyaoui, M.; Sirjean, B.; Warth, V.; Coniglio, L.;

Herbinet, O.; Glaude, P.A.;

Billaud, F.; Battin-Leclerc, F.;

Int. J. Chem. Kinet. 42, 226-252 (2010) Oxidation of Methyl and Ethyl Butanoates

2010ZHU/LIN253-261 Zhu, R.S.; Lin, M.C.; Int. J. Chem. Kinet. 42, 253-261 (2010)

An Ab Initio Chemical Kinetic Study on the Reactions of H, OH, and Cl with HOClO3 http://dx.doi.org/10.1002/kin.20475� http://dx.doi.org/10.1002/kin.20472� http://dx.doi.org/10.1002/kin.20479� http://dx.doi.org/10.1002/kin.20484� http://dx.doi.org/10.1002/kin.20446� http://dx.doi.org/10.1002/kin.20468� http://dx.doi.org/10.1002/kin.20476� http://dx.doi.org/10.1002/kin.20473� http://dx.doi.org/10.1002/kin.20459�

2010CHE/TOK262-262 Chen, L.; Tokuhashi, K.;

Kutsuna, S.; Sekiya, A.;

Int. J. Chem. Kinet. 42, 262-262 (2010)

Rate Constants for the Gas-Phase Reaction of CF3CF2CF2CF2CF2CHF2 with OH Radicals at 250-430 K (vol 36, pg 26, 2004)

2010MIY273-288 Miyoshi, A.; Int. J. Chem. Kinet. 42, 273-288 (2010)

Computational Studies on the Reactions of 3-Butenyl and 3-Butenylperoxy Radicals

2010JU/WAN289-298 Ju, L.P.; Wang, D.S.; Int. J. Chem. Kinet. 42, 289-298 (2010)

Kinetic Isotope Effects for the H-2 + C2H <-> C2H2 + H Reaction Based on the Ab Initio Calculations and a Global Potential Energy Surface

2010VIL/GON391-396 Villata, L.S.; Gonzalez, M.C.;

Martire, D.O.;

Int. J. Chem. Kinet. 42, 391-396 (2010)

A Kinetic Study of the Reactions of Sulfate and Dihydrogen Phosphate Radicals with Epicatechin, Epicatechingallate, and Epigalocatechingallate

2010ORL/TYN397-413 Orlando, J.J.; Tyndall, G.S.; Int. J. Chem. Kinet. 42, 397-413 (2010)

The Atmospheric Oxidation of Ethyl Formate and Ethyl Acetate over a Range of Temperatures and Oxygen Partial Pressures

2010RAT/TRU414-429 Ratkiewicz, A.; Truong, T.N.; Int. J. Chem. Kinet. 42, 414-429 (2010)

Kinetics of the Hydrogen Abstraction R-OH plus H -> R-O-center dot + H-2 Reaction Class

2010PIM/TYN479-498

Pimentel, A.S.; Tyndall, G.S.;

Orlando, J.J.; Hurley, M.D.;

Wallington, T.J.; Andersen, M.PS.; Marshall, P.; Dibble, T.S.;

Int. J. Chem. Kinet. 42, 479-498 (2010)

Atmospheric Chemistry of Isopropyl Formate and tert-Butyl Formate

2010SEN/IND519-525

Sengupta, S.; Indulkar, Y.;

Kumar, A.; Dhanya, S.; Naik, P.D.; Bajaj, P.N.;

Int. J. Chem. Kinet. 42, 519-525 (2010)

Kinetic Study of the Gas-Phase Reaction of Hydroxyl Radical with CF3CH2OCH2CF3 Using the Laser Photolysis-Laser Induced Fluorescence Method

2010KHA/CRO575-585 Khamaganov, V.; Crowley, J.N.;

Int. J. Chem. Kinet. 42, 575-585 (2010)

Rate Coefficients for the Reactions CH3 + Br-2 (224-358 K), CH3CO + Br-2 (228 and http://dx.doi.org/10.1002/kin.20480� http://dx.doi.org/10.1002/kin.20478� http://dx.doi.org/10.1002/kin.20482� http://dx.doi.org/10.1002/kin.20492� http://dx.doi.org/10.1002/kin.20493� http://dx.doi.org/10.1002/kin.20491� http://dx.doi.org/10.1002/kin.20498� http://dx.doi.org/10.1002/kin.20507� http://dx.doi.org/10.1002/kin.20505�

298K), and Cl + Br-2 (228 and 298 K)

2010CHE/UCH619-628

Chen, L.; Uchimaru, T.;

Kutsuna, S.; Tokuhashi, K.;

Sekiya, A.;

Int. J. Chem. Kinet. 42, 619-628 (2010)

Kinetics of the Gas-Phase Reactions of CHX=CFX (X = H, F) with OH (253-328 K) and NO3 (298 K) Radicals and O-3 (236-308 K)

2010HAR/HAM669-675 Harrison, J.C.; Ham, J.E.; Int. J. Chem. Kinet. 42, 669-675 (2010)

Rate Constants for the Gas-Phase Reactions of Nitrate Radicals with Geraniol, Citronellol, and Dihydromyrcenol

2010XU/LIN69-78 Xu, S.C.; Lin, M.C.; Int. J. Chem. Kinet. 42, 69-78 (2010)

Ab Initio Chemical Kinetics for the NH2 + HNOx Reactions, Part III: Kinetics and Mechanism for NH2 + HONO2

2010ROM/STE724-734

Romanias, M.N.;

Stefanopoulos, V.G.;

Papanastasiou, D.K.;

Papadimitriou, V.C.;

Papagiannakopoulos, P.;

Int. J. Chem. Kinet. 42, 724-734 (2010)

Temperature-Dependent Rate Coefficients and Mechanism for the Gas-Phase Reaction of Chlorine Atoms with Acetone

2010KHA/BUR90-97 Khachatryan, L.; Burcat, A.;

Dellinger, B.;

Int. J. Chem. Kinet. 42, 90-97 (2010)

The Role of Chlorine Atoms and Hydroxyl Radicalsin the Formation of PCDDs from the Oxidative Pyrolysis of 2,4,6- Trichlorophenol

2010SHA/PUS98-105

Sharma, A.; Pushpa, K.K.;

Dhanya, S.; Naik, P.D.; Bajaj, P.N.;

Int. J. Chem. Kinet. 42, 98-105 (2010)

Rate Coefficients and Products for Gas- Phase Reactions of Chlorine Atoms with Cyclic Unsaturated Hydrocarbons at 298 K

2010ZHA/LIU1214-1223 Zhao, X.X.; Liu, F.L.; Int. J. Quant. Chem.

110, 1214-1223 (2010)

Mechanism for the Gas-Phase Hydrogen Fluoride-Mediated Decomposition of Peroxyacetyl Nitrate (PAN) Studied by DFT Method

2010LU/WU1273-1278 Lu, X.H.; Wu, W.R.; Che, X.;

Han, J.F.; Shi, L.Y.;

Int. J. Quant. Chem.

110, 1273-1278 (2010)

Theoretical Study of Mechanism of Cycloaddition Reaction Between Dimethylmethylene Carbene and http://dx.doi.org/10.1002/kin.20506� http://dx.doi.org/10.1002/kin.20509� http://dx.doi.org/10.1002/kin.20463� http://dx.doi.org/10.1002/kin.20517� http://dx.doi.org/10.1002/kin.20461� http://dx.doi.org/10.1002/kin.20467� http://dx.doi.org/10.1002/qua.22224� http://dx.doi.org/10.1002/qua.22182�

Formaldehyde

2010ALV/CAR2037-2046

Alves, M.M.; Carvalho, E.FV.;

Machado, F.BC.; Roberto-Neto, O.;

Int. J. Quant. Chem.

110, 2037-2046 (2010)

Theoretical Calculations of Structures, Energetics, and Kinetics of O (P-3) + CH3OH Reactions

2010ZHA/JON2672-2683

Zhang, F.T.; Jones, B.;

Maksyutenko, P.; Kaiser, R.I.;

Chin, C.; Kislov, V.V.; Mebel, A.M.;

J. Am. Chem. Soc. 132, 2672-2683 (2010)

Formation of the Phenyl Radical [C6H5 (X(2)A(1))] under Single Collision Conditions: A Crossed Molecular Beam and ab Initio Study

2009WAL/MEL93-94 Wallington, T.J.; Mellouki, A.; J. Atmos. Chem. 63, 93-94 (2009)

Comment on "Kinetics of the reactions of Cl atoms with 2-buten-1-ol, 2-methyl-2-propen-1-ol, and 3-methyl-2-buten-1-ol as a function of temperature" by Rodriguez et al.

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2010LAY/TRO134307- Layfield, J.P.; Troya, D.; J. Chem. Phys. 132, 134307- (2010)

Theoretical study of the dynamics of F plus alkanethiol self-assembled monolayer hydrogen-abstraction reactions

2010GAM/MAR144304- Gamallo, P.; Martinez, R.;

Sayos, R.; Gonzalez, M.;

J. Chem. Phys. 132, 144304- (2010)

Quasiclassical dynamics and kinetics of the N+NO -> N-2+O, NO+N atmospheric reactions

2010HU/ZHA164312- Hu, R.Z.; Zhang, Q.; Chen, Y.; J. Chem. Phys. 132, 164312- (2010)

Reactions of C-2(a (3)Pi(u)) with selected saturated alkanes: A temperature dependence study

2010KER/MOR44309- Kerkines, I.SK.; Morokuma, K.;

Iordanova, N.; Viggiano, A.A.;

J. Chem. Phys. 132, 44309- (2010)

Experimental and theoretical study of the reaction of POCl3- with O-2

2010SUN/TAN64301-

Sun, J.Y.; Tang, Y.Z.; Jia, X.J.;

Wang, F.; Sun, H.; Feng, J.D.;

Pan, X.M.; Hao, L.Z.; Wang, R.S.;

J. Chem. Phys. 132, 64301- (2010)

Theoretical study for the reaction of CH3CN with O(P-3)

2010BOZ/TUR64308- Bozkaya, U.; Turney, J.M.;

Yamaguchi, Y.; Schaefer, H.F.;

J. Chem. Phys. 132, 64308- (2010)

The barrier height, unimolecular rate constant, and lifetime for the dissociation of http://dx.doi.org/10.1002/qua.22576� http://dx.doi.org/10.1021/ja908559v� http://dx.doi.org/10.1007/s10874-010-9153-2� http://dx.doi.org/10.1063/1.3364858� http://dx.doi.org/10.1063/1.3364867� http://dx.doi.org/10.1063/1.3400070� http://dx.doi.org/10.1063/1.3299276� http://dx.doi.org/10.1063/1.3292570� http://dx.doi.org/10.1063/1.3310285�

HN2

2010GEO/KAL84503-

George, L.; Kalume, A.; El- Khoury, P.Z.; Tarnovsky, A.;

Reid, S.A.;

J. Chem. Phys. 132, 84503- (2010)

Matrix isolation and computational study of isodifluorodibromomethane (F2CBr-Br): A route to Br-2 formation in CF2Br2 photolysis

2010FEN/ALL94304- Feng, H.; Allen, W.D.; J. Chem. Phys. 132, 94304- (2010) The problematic C2H4+F-2 reaction barrier

2010HU/ZHA114306- Hu, R.Z.; Zhang, Q.; Chen, Y.; J. Chem. Phys. 133, 114306- (2010)

Reaction of C-2(a (3)Pi(u)) with methanol:

Temperature dependence and deuterium isotope effect

2010HEI/DON174314- Heinbuch, S.; Dong, F.; Rocca, J.J.; Bernstein, E.R.;

J. Chem. Phys. 133, 174314- (2010)

Experimental and theoretical studies of reactions of neutral vanadium and tantalum oxide clusters with NO and NH3

2010CHU/LEE184303- Chu, L.K.; Lee, Y.P.; J. Chem. Phys. 133, 184303- (2010)

Transient infrared spectra of CH3SOO and CH3SO observed with a step-scan Fourier-transform spectrometer

2010PAR/WES184306-

Park, K.; West, A.; Raheja, E.;

Sellner, B.; Lischka, H.;

Windus, T.L.; Hase, W.L.;

J. Chem. Phys. 133, 184306- (2010)

Singlet and triplet potential surfaces for the O-2+C2H4 reaction

2010TIS/ILI21102- Tishchenko, O.; Ilieva, S.;

Truhlar, D.G.;

J. Chem. Phys. 133, 21102- (2010)

Communication: Energetics of reaction pathways for reactions of ethenol with the hydroxyl radical: The importance of internal hydrogen bonding at the transition state

2010BOZ/TUR59901- Bozkaya, U.; Turney, J.M.;

Yamaguchi, Y.; Schaefer, H.F.;

J. Chem. Phys. 133, 59901- (2010)

The barrier height, unimolecular rate constant, and lifetime for the dissociation of HN2 (vol 132, 064308, 2010)

2010ZHA/WU1462-1469 Zhang, I.Y.; Wu, J.M.; Luo, Y.;

Xu, X.;

J. Chem. Theory Comput. 6, 1462-1469 (2010)

Trends in R-X Bond Dissociation Energies (R-center dot = Me, Et, i-Pr, t-Bu, X-center dot = H, Me, Cl, OH)

2010ANG/OLI2743-2750 Anglada, J.M.; Olivella, S.; J. Chem. Theory On the Dissociation of Ground State trans-http://dx.doi.org/10.1063/1.3319567� http://dx.doi.org/10.1063/1.3316088� http://dx.doi.org/10.1063/1.3480395� http://dx.doi.org/10.1063/1.3497652� http://dx.doi.org/10.1063/1.3495765� http://dx.doi.org/10.1063/1.3490480� http://dx.doi.org/10.1063/1.3455996� http://dx.doi.org/10.1063/1.3466989� http://dx.doi.org/10.1021/ct100010d� http://dx.doi.org/10.1021/ct100358e�

Sole, A.; Comput. 6, 2743-2750 (2010)

HOOO Radical: A Theoretical Study

2010VIE/VAR412-420 Viegas, L.P.; Varandas, A.JC.;

J. Chem. Theory Comput. 6, 412-420 (2010)

HO2 + O-3 Reaction: Ab Initio Study and Implications in Atmospheric Chemistry

2010SUN/TAN1126-1134

Sun, J.Y.; Tang, Y.Z.; Sun, H.;

Jia, X.J.; Pan, X.M.; Wang, R.S.;

J. Comput. Chem. 31, 1126-1134 (2010)

Theoretical and Kinetic Study of the H + C2H5CN Reaction

2010BLA/SIM1236-1248 Black, G.; Simmie, J.M.; J. Comput. Chem. 31, 1236-1248 (2010)

Barrier Heights for H-Atom Abstraction by H(O)over dot(2) from n-Butanol-A Simple Yet Exacting Test for Model Chemistries?

2010QU/SU1421-1442

Qu, Y.N.; Su, K.H.; Wang, X.;

Liu, Y.; Zeng, Q.F.; Cheng, L.F.; Zhang, L.T.;

J. Comput. Chem. 31, 1421-1442 (2010) Reaction Pathways of Propene Pyrolysis

2010TAN/SUN1520-1527

Tang, Y.Z.; Sun, J.Y.; Jia, X.J.;

Sun, H.; Pan, X.M.; Wang, R.S.;

J. Comput. Chem. 31, 1520-1527 (2010)

Mechanistic and Kinetic Investigations of N2H4 + OH Reaction

2010JIA/LIU2263-2272

Jia, X.J.; Liu, Y.J.; Sun, J.Y.;

Sun, H.; Wang, F.; Su, Z.M.;

Pan, X.M.; Wang, R.S.;

J. Comput. Chem. 31, 2263-2272 (2010)

Computational Studies on the Mechanism and Kinetics of Cl Reaction with C2H5I

2010BER/LAT2555-2567 Berski, S.; Latajka, Z.; Gordon, A.J.;

J. Comput. Chem. 31, 2555-2567 (2010)

Ab Initio and Quantum Chemical Topology Studies on the Isomerization of HONO to HNO2. Effect of the Basis Set in QCT

2010ZHA/ZHA2794-2803

Zhang, H.; Zhang, G.L.; Liu, J.Y.; Sun, M.A.; Liu, B.; Li, Z.S.;

J. Comput. Chem. 31, 2794-2803 (2010)

Theoretical Studies on the Reactions CH3SCH3 with OH, CF3, and CH3 Radicals

2010ZHA/ZHA403-411 Zhang, H.; Zhang, G.L.; Liu, J.Y.; Sun, M.; Liu, B.; Li, Z.S.;

J. Comput. Chem. 31, 403-411 (2010)

Theoretical Study and Rate Constants Calculation for the Reactions of SiH3 Radical with SiH3CH3 and SiH2(CH3)(2)

2010ALI/RAJ500-509 Ali, M.A.; Rajakumar, B.; J. Comput. Chem. 31, Rate Coefficients for the Reaction of OH http://dx.doi.org/10.1021/ct900370q� http://dx.doi.org/10.1002/jcc.21397� http://dx.doi.org/10.1002/jcc.21410� http://dx.doi.org/10.1002/jcc.21427� http://dx.doi.org/10.1002/jcc.21438� http://dx.doi.org/10.1002/jcc.21516� http://dx.doi.org/10.1002/jcc.21547� http://dx.doi.org/10.1002/jcc.21572� http://dx.doi.org/10.1002/jcc.21326� http://dx.doi.org/10.1002/jcc.21336�

500-509 (2010) with CF3CH2CH3 (HFC-263fb) Between 200 and 400 K: Ab Initio, DFT, and Transition State Theory Calculations

2010JI/CAO510-519

Ji, Y.M.; Cao, F.L.; Gao, H.; Li, X.Z.; Zhao, C.Y.; Su, C.Y.; Liu, J.Y.; Li, Z.S.;

J. Comput. Chem. 31, 510-519 (2010)

On the Kinetic Mechanism of the Hydrogen Abstraction Reactions of the Hydroxyl Radical with CH3CF2Cl and CH3CFCl2: A Dual Level Direct Dynamics Study

2010GAO/YAN938-953 Gao, C.; Yang, H.Q.; Xu, J.;

Qin, S.; Hu, C.W.;

J. Comput. Chem. 31, 938-953 (2010)

Theoretical Study on the Gas-Phase Reaction Mechanism Between Rhodium Monoxide and Methane for Methanol Production

2010HAN/KEN751-760

Han, W.F.; Kennedy, E.M.;

Kundu, S.K.; Mackie, J.C.;

Adesina, A.A.; Dlugogorski, B.Z.;

J. Fluorine Chem. 131, 751-760 (2010)

Experimental and chemical kinetic study of the pyrolysis of trifluoroethane and the reaction of trifluoromethane with methane

2010HAN/KEN181-187

Han, W.F.; Kennedy, E.M.;

Mackie, J.C.; Dlugogorski, B.Z.;

J. Hazard. Mater. 180, 181-187 (2010)

Conversion of CHF3 to CH2=CF2 via reaction with CH4 in the presence of CBrF3: An experimental and kinetic modelling study

2010SIN/MIS1473-1480 Singh, H.J.; Mishra, B.K.; J. Mol. Modeling 16, 1473-1480 (2010)

Ab initio studies on the reactivity of the CF3OCH2O radical: Thermal decomposition vs. reaction with O-2

2010CAR/KLO115-118 Carissan, Y.; Klopper, W.;

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Theochem 940, 115- 118 (2010)

Hydrogen abstraction from biphenyl, acenaphthylene, naphthalene and phenanthrene by atomic hydrogen and methyl radical: DFT and G3(MP2)-MD data

2010ZHA/CHE10-21 Zhang, Q.L.; Chen, B.Z.;

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Theochem 941, 10-21 (2010)

Theoretical studies of the effects of substituents on the ring opening reactions for the cyclopropylcarbinyl radical

2010WU/JIN127-132 Wu, Y.; Jin, L.; Xue, Y.; Kim, J. Mol. Struct. Theoretical studies on the gas-phase http://dx.doi.org/10.1002/jcc.21343� http://dx.doi.org/10.1002/jcc.21382� http://dx.doi.org/10.1016/j.jfluchem.2010.03.012� http://dx.doi.org/10.1016/j.jhazmat.2010.04.011� http://dx.doi.org/10.1007/s00894-010-0665-0� http://dx.doi.org/10.1016/j.theochem.2009.10.017� http://dx.doi.org/10.1016/j.theochem.2009.10.029� http://dx.doi.org/10.1016/j.theochem.2009.11.017�

C.K.; Theochem 941, 127- 132 (2010) pyrolysis of 2-trimethylsilylethanol

2010ZHA/ZHA32-37

Zhao, Y.; Zhang, R.X.; Wang, H.; He, M.X.; Sun, X.M.;

Zhang, Q.Z.; Wang, W.X.; Ru, M.Y.;

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Theochem 942, 32-37 (2010)

Mechanism of atmospheric ozonolysis of sabinene: A DFT study

2010RYN/KUL60-65

Rynin, S.S.; Kulikov, P.V.;

Faustov, V.I.; Boganov, S.E.;

Egorov, M.P.; Nefedov, O.M.;

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Theochem 942, 60-65 (2010)

Computational study of 2-vinylsilirane to silacyclopent-3-ene rearrangement

2010GOO/VAH110-115 Goodarzi, M.; Vahedpour, M.;

Nazari, F.;

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Theochem 944, 110- 115 (2010)

Mechanism for the gas-phase of sulfur vapor with ozone reaction: A theoretical study

2010LIU/LIU124-131 Liu, H.X.; Liu, Y.C.; Wan, S.Q.; Liu, J.Y.;

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Theochem 944, 124- 131 (2010)

Reaction of Cl with CF3CH2OCHO: A mechanistic and kinetic study

2010HUA/WAN21-33 Huang, M.Q.; Wang, Z.Y.; Hao, L.Q.; Zhang, W.J.;

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Theochem 944, 21-33 (2010)

Density functional theory study on the mechanism of OH-initiated atmospheric photooxidation of ethylbenzene

2010LI/LIU120-128 Li, Y.; Liu, H.L.; Huang, X.R.;

Li, Z.; Sun, Y.B.; Sun, C.C.;

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Theoretical study for ozonolysis of 1,3-butadiene

2010GOO/VAH45-52 Goodarzi, M.; Vahedpour, M.;

Nazari, F.;

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Theochem 945, 45-52 (2010)

Theoretical study on the atmospheric formation of SOx (x=1-3) in the SSO((1)A ') and O-2((3)Sigma(-)(g)) reaction

2010ZHA/LI32-39 Zhao, Y.; Li, Y.; Liu, H.L.;

Huang, X.R.; Sun, C.C.;

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Theochem 947, 32-39 (2010)

Theoretical study on the mechanism of the NCO + CH3 reaction

2010DON/WAN45-51 Dong, X.Z.; Wang, L.P.; Tian, Y.;

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