Journal of Physical Chemistry A

Journal of Physical Chemistry A, Vol.111, No.19 Entire volume, number list

ISSN: 1089-5639 (Print)

In this Issue (44 articles)

3673 - 3673	Tribute to James A. Miller Kee RJ, Glarborg P, Klippenstein SJ, Taatjes CA
3676 - 3678	My life and career (so far) in combustion chemistry Miller JA
3686 - 3690	OH-initiated oxidation of toluene. 1. Quantum chemistry investigation of the reaction path Frankcombe TJ, Smith SC
3691 - 3696	OH-initiated oxidation of toluene. 2. Master equation simulation of toluene oxide isomerization Frankcombe TJ, Smith SC
3697 - 3709	Isomer-specific ultraviolet spectroscopy of m- and p-divinylbenzene Selby TM, Meerts WL, Zwier TS
3710 - 3718	Flexing the muscles of m-divinylbenzene: Direct measurement of the barriers to conformational isomerization Selby TM, Zwier TS
3719 - 3726	Computational study of CO2 reduction by amines Carpenter BK
3727 - 3739	Enthalpies of formation, bond dissociation energies and reaction paths for the decomposition of model biofuels: Ethyl propanoate and methyl butanoate El-Nahas AM, Navarro MV, Simmie JM, Bozzelli JW, Curran HJ, Dooley S, Metcalfe W
3740 - 3747	The reaction of n- and i-C4H5 radicals with acetylene Senosiain JP, Miller JA
3748 - 3760	Thermochemical and kinetic analysis of the thermal decomposition of monomethylhydrazine: An elementary reaction mechanism Sun HY, Law CK
3761 - 3775	Detailed chemical kinetic modeling of cyclohexane oxidation Silke EJ, Pitz WJ, Westbrook CK, Ribaucour M
3776 - 3788	Analysis of HO2 and OH formation mechanisms using FM and UV spectroscopy in dimethyl ether oxidation Suzaki K, Tsuchiya K, Koshi M, Tezaki A
3789 - 3801	On the combination reactions of hydrogen atoms with resonance-stabilized hydrocarbon radicals Harding LB, Klippenstein SJ, Georgievskii Y
3802 - 3811	Strange kinetics of the C2H6+CNreaction explained Georgievskii Y, Klippenstein SJ
3812 - 3818	Reaction of hydrogen atoms with propyne at high temperatures: An experimental and theoretical study Bentz T, Giri BR, Hippler H, Olzmann M, Striebel F, Szori M
3819 - 3830	Thermochemistry of key soot formation intermediates: C3H3 isomers Wheeler SE, Robertson KA, Allen WD, Schaefer HF, Bomble YJ, Stanton JF
3831 - 3835	Kinetics of the NCO plus HCNO reaction Feng WH, Hershberger JF
3836 - 3849	Theoretical reinvestigation of the O(P-3)+C6H6 reaction: Quantum chemical and statistical rate calculations Nguyen TL, Peeters J, Vereecken L
3850 - 3861	Determination of the rate constant for the OH(X-2 Pi)+OH(X-2 Pi) -> O(P-3)+H2O reaction over the temperature range 293-373 K Bahng MK, Macdonald RG
3862 - 3867	Refined analysis of the thermal dissociation of formaldehyde Troe J
3868 - 3874	Analysis of quantum yields for the photolysis of formaldehyde at lambda > 310 nm Troe J
3875 - 3883	Effects of chain length on the rates of C-C bond dissociation in linear alkanes and polyethylene Knyazev VD
3884 - 3890	Relaxation, incubation, and dissociation in CO2 Saxena S, Kiefer JH, Tranter RS
3891 - 3900	Measurements and automated mechanism generation modeling of OH production in photolytically initiated oxidation of the neopentyl radical Petway SV, Ismail H, Green WH, Estupinan EG, Jusinski LE, Taatjes CA
3901 - 3906	Determination of spin-orbit branching fractions in the photodissociation of halogenated hydrocarbons Fan H, Pratt ST
3907 - 3921	Experimental study and detailed modeling of toluene degradation in a low-pressure stoichiometric premixed CH4/O-2/N-2 flame El Bakali A, Dupont L, Lefort B, Lamoureux N, Pauwels JF, Montero M
3922 - 3931	Ab initio G3-type/statistical theory study of the formation of indene in combustion flames. I. Pathways involving benzene and phenyl radical Kislov VV, Mebel AM
3932 - 3950	Kinetics of the reaction of methyl radical with hydroxyl radical and methanol decomposition Jasper AW, Klippenstein SJ, Harding LB, Ruscic B
3951 - 3958	High-temperature rate constants for CH3OH+Kr -> products, OH+CH3OH -> products, OH+(CH3)(2)CO -> CH2COCH3+H2O, and OH+CH3 -> CH2+H2O Srinivasan NK, Su MC, Michael JV
3959 - 3969	Conversion of C5 into C6 cyclic species through the formation of C7 intermediates Cavallotti C, Mancarella S, Rota R, Carra S
3970 - 3976	Studies of the kinetics and thermochemistry of the forward and reverse reaction Cl+C6H6=HCl+C6H5 Alecu IM, Gao YD, Hsieh PC, Sand JP, Ors A, McLeod A, Marshall P
3977 - 3983	Ab initio study of the ClO+NH2 reaction: Prediction of the total rate constant and product branching ratios Zhu RS, Lin MC
3984 - 3991	Reactions of SO3 with the O/H radical pool under combustion conditions Hindiyarti L, Glarborg P, Marshall P
3992 - 4000	Chemical kinetic study of the effect of a biofuel additive on Jet-A1 combustion Dagaut P, Gail S
4001 - 4014	Experimental and modeling study of C5H10O2 ethyl and methyl esters Metcalfe WK, Dooley S, Curran HJ, Simmie JM, El-Nahas AM, Navarro MV
4015 - 4030	Measurements and modeling of DO2 formation in the reactions of C2D5 and C3D7 radicals with O-2 Estupinan EG, Smith JD, Tezaki A, Klippenstein SJ, Taatjes CA
4031 - 4042	Reaction kinetics of CO+HO2 -> products: Ab initio transition state theory study with master equation modeling You XQ, Wang H, Goos E, Sung CJ, Klippenstein SJ
4043 - 4055	Experimental and master equation study of the kinetics of OH+C2H2: Temperature dependence of the limiting high pressure and pressure dependent rate coefficients Mckee KW, Blitz MA, Cleary PA, Glowacki DR, Pilling MJ, Seakins PW, Wang LM
4056 - 4061	Ab intio based potential energy surfaces and Franck-Condon analysis of ionization thresholds of cyclic-C3H and linear-C3H Wang YM, Braams BJ, Bowman JM
4062 - 4072	High-temperature shock tube measurements of methyl radical decomposition Vasudevan V, Hanson RK, Golden DM, Bowman CT, Davidson DF
4073 - 4080	Alkylation effects on strong collisions of highly vibrationally excited alkylated pyridines with CO2 Liu QN, Du J, Havey DK, Li ZM, Miller EM, Mullin AS
4081 - 4092	Initial steps of aromatic ring formation in a laminar premixed fuel-rich cyclopentene flame Hansen N, Kasper T, Klippenstein SJ, Westmoreland PR, Law ME, Taatjes CA, Kohse-Hoinghaus K, Wang J, Cool TA
4093 - 4101	Isomer-specific fuel destruction pathways in rich flames of methyl acetate and ethyl formate and consequences for the combustion chemistry of esters Osswald P, Struckmeier U, Kasper T, Kohse-Hoinghaus K, Wang J, Cool TA, Hansen N, Westmoreland PR
4102 - 4115	Combustion modeling and kinetic rate calculations for a stoichiometric cyclohexane flame. 1. Major reaction pathways Zhang HZR, Huynh LK, Kungwan N, Yang ZW, Zhang SW