Volume 111; Issue 19

Journal of Physical Chemistry A

Volume 111; Issue 19

1

Experimental and Master Equation Study of the Kinetics of OH + C2H2: Temperature Dependence of the Limiting High Pressure and Pressure Dependent Rate Coefficients†

McKee, Kenneth W., Blitz, Mark A., Cleary, Patricia A., Glowacki, David R., Pilling, Michael J., Seakins, Paul W., Wang, Liming

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 264 KB

english, 2007

2

Detailed Chemical Kinetic Modeling of Cyclohexane Oxidation†

Silke, Emma J., Pitz, William J., Westbrook, Charles K., Ribaucour, Marc

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 586 KB

english, 2007

3

Experimental and Modeling Study of C 5 H 10 O 2 Ethyl and Methyl Esters †

Metcalfe, W. K., Dooley, S., Curran, H. J., Simmie, J. M., El-Nahas, A. M., Navarro, M. V.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 385 KB

english, 2007

4

Isomer-Specific Ultraviolet Spectroscopy of m - and p -Divinylbenzene †

Selby, Talitha M., Meerts, W. Leo, Zwier, Timothy S.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 550 KB

english, 2007

5

Chemical Kinetic Study of the Effect of a Biofuel Additive on Jet-A1 Combustion †

Dagaut, Philippe

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 263 KB

english, 2007

6

Reaction Kinetics of CO + HO 2 → Products: Ab Initio Transition State Theory Study with Master Equation Modeling †

You, Xiaoqing, Wang, Hai, Goos, Elke, Sung, Chih-Jen, Klippenstein, Stephen J.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 379 KB

english, 2007

7

Tribute to James A. Miller

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 181 KB

english, 2007

8

Theoretical Reinvestigation of the O( 3 P) + C 6 H 6 Reaction: Quantum Chemical and Statistical Rate Calculations †

Nguyen, Thanh Lam, Peeters, Jozef, Vereecken, Luc

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 545 KB

english, 2007

9

Enthalpies of Formation, Bond Dissociation Energies and Reaction Paths for the Decomposition of Model Biofuels: Ethyl Propanoate and Methyl Butanoate †

El-Nahas, Ahmed M., Navarro, Maria V., Simmie, John M., Bozzelli, Joseph W., Curran, Henry J., Dooley, Stephen, Metcalfe, Wayne

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 591 KB

english, 2007

10

Initial Steps of Aromatic Ring Formation in a Laminar Premixed Fuel-Rich Cyclopentene Flame†

Hansen, N., Kasper, T., Klippenstein, S. J., Westmoreland, P. R., Law, M. E., Taatjes, C. A., Kohse-Höinghaus, K., Wang, J., Cool, T. A.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 271 KB

english, 2007

11

Collaborators of James A. Miller

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 5 KB

english, 2007

12

Thermochemical and Kinetic Analysis of the Thermal Decomposition of Monomethylhydrazine: An Elementary Reaction Mechanism †

Sun, Hongyan, Law, Chung K.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 446 KB

english, 2007

13

Effects of Chain Length on the Rates of C−C Bond Dissociation in Linear Alkanes and Polyethylene †

Knyazev, Vadim D.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 119 KB

english, 2007

14

Ab Initio G3-type/Statistical Theory Study of the Formation of Indene in Combustion Flames. I. Pathways Involving Benzene and Phenyl Radical †

Kislov, V. V., Mebel, A. M.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 297 KB

english, 2007

15

Measurements and Automated Mechanism Generation Modeling of OH Production in Photolytically Initiated Oxidation of the Neopentyl Radical ‖

Petway, Sarah V., Ismail, Huzeifa, Green, William H., Estupiñán, Edgar G., Jusinski, Leonard E., Taatjes, Craig A.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 293 KB

english, 2007

16

Refined Analysis of the Thermal Dissociation of Formaldehyde †

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 78 KB

english, 2007

17

Curriculum Vitae of James A. Miller

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 10 KB

english, 2007

18

Strange Kinetics of the C 2 H 6 + CN Reaction Explained †

Georgievskii, Yuri, Klippenstein, Stephen J.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 208 KB

english, 2007

19

The Reaction of n - and i -C 4 H 5 Radicals with Acetylene †

Senosiain, Juan P., Miller, James A.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 272 KB

english, 2007

20

Thermochemistry of Key Soot Formation Intermediates: C 3 H 3 Isomers †

Wheeler, Steven E., Robertson, Kenneth A., Allen, Wesley D., Schaefer,, Bomble, Yannick J., Stanton, John F.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 150 KB

english, 2007

21

Combustion Modeling and Kinetic Rate Calculations for a Stoichiometric Cyclohexane Flame. 1. Major Reaction Pathways †

Zhang, Hongzhi R., Huynh, Lam K., Kungwan, Nawee, Yang, Zhiwei, Zhang, Shaowen

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 222 KB

english, 2007

22

Conversion of C5 into C6 Cyclic Species through the Formation of C7 Intermediates †

Cavallotti, Carlo, Mancarella, Silvia, Rota, Renato, Carrà, Sergio

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 211 KB

english, 2007

23

Relaxation, Incubation, and Dissociation in CO 2†

Saxena, Saumitra, Kiefer, John H., Tranter, Robert S.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 144 KB

english, 2007

24

Studies of the Kinetics and Thermochemistry of the Forward and Reverse Reaction Cl + C 6 H 6 = HCl + C 6 H 5†

Alecu, I. M., Gao, Yide, Hsieh, P-C., Sand, Jordan P., Ors, Ahmet, McLeod, A., Marshall, Paul

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 122 KB

english, 2007

25

Isomer-Specific Fuel Destruction Pathways in Rich Flames of Methyl Acetate and Ethyl Formate and Consequences for the Combustion Chemistry of Esters †

Osswald, Patrick, Struckmeier, Ulf, Kasper, Tina, Kohse-Höinghaus, Katharina, Wang, Juan, Cool, Terrill A., Hansen, Nils, Westmoreland, Phillip R.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 224 KB

english, 2007

26

OH-Initiated Oxidation of Toluene. 2. Master Equation Simulation of Toluene Oxide Isomerization †

Frankcombe, Terry J., Smith, Sean C.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 175 KB

english, 2007

27

My Life and Career (So Far) in Combustion Chemistry

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 19 KB

english, 2007

28

Measurements and Modeling of DO 2 Formation in the Reactions of C 2 D 5 and C 3 D 7 Radicals with O 2†

Estupiñán, Edgar G., Smith, Jared D., Tezaki, Atsumu, Klippenstein, Stephen J., Taatjes, Craig A.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 414 KB

english, 2007

29

Experimental Study and Detailed Modeling of Toluene Degradation in a Low-Pressure Stoichiometric Premixed CH 4 /O 2 /N 2 Flame †

El Bakali, A., Dupont, L., Lefort, B., Lamoureux, N., Pauwels, J. F., Montero, M.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 370 KB

english, 2007

30

Alkylation Effects on Strong Collisions of Highly Vibrationally Excited Alkylated Pyridines with CO 2†

Liu, Qingnan, Du, Juan, Havey, Daniel K., Li, Ziman, Miller, Elisa M., Mullin, Amy S.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 282 KB

english, 2007

31

Kinetics of the NCO + HCNO Reaction †

Feng, Wenhui, Hershberger, John F.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 82 KB

english, 2007

32

Analysis of HO 2 and OH Formation Mechanisms Using FM and UV Spectroscopy in Dimethyl Ether Oxidation †

Suzaki, Kotaro, Tsuchiya, Kentaro, Koshi, Mitsuo, Tezaki, Atsumu

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 415 KB

english, 2007

33

Analysis of Quantum Yields for the Photolysis of Formaldehyde at λ > 310 nm †

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 118 KB

english, 2007

34

Reaction of Hydrogen Atoms with Propyne at High Temperatures: An Experimental and Theoretical Study †

Bentz, Tobias, Giri, Binod R., Hippler, Horst, Olzmann, Matthias, Striebel, Frank, Szöri, Milan

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 134 KB

english, 2007

35

Determination of Spin−Orbit Branching Fractions in the Photodissociation of Halogenated Hydrocarbons †

Fan, H., Pratt, S. T.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 84 KB

english, 2007

36

Determination of the Rate Constant for the OH(X 2 Π) + OH(X 2 Π) → O( 3 P) + H 2 O Reaction over the Temperature Range 293−373 K †

Bahng, Mi-Kyung, Macdonald, R. Glen

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 227 KB

english, 2007

37

Technical Publications of James A. Miller

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 35 KB

english, 2007

38

High-Temperature Shock Tube Measurements of Methyl Radical Decomposition †

Vasudevan, Venkatesh, Hanson, Ronald K., Golden, David M., Bowman, Craig T., Davidson, David F.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 673 KB

english, 2007

39

On the Combination Reactions of Hydrogen Atoms with Resonance-Stabilized Hydrocarbon Radicals †

Harding, Lawrence B., Klippenstein, Stephen J., Georgievskii, Yuri

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 791 KB

english, 2007

40

High-Temperature Rate Constants for CH 3 OH + Kr → Products, OH + CH 3 OH → Products, OH + (CH 3 ) 2 CO → CH 2 COCH 3 + H 2 O, and OH + CH 3 → CH 2 + H 2 O †

Srinivasan, N. K., Su, M.-C., Michael, J. V.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 169 KB

english, 2007

41

Reactions of SO 3 with the O/H Radical Pool under Combustion Conditions †

Hindiyarti, Lusi, Glarborg, Peter, Marshall, Paul

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 232 KB

english, 2007

42

Computational Study of CO 2 Reduction by Amines †

Carpenter, Barry K.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 241 KB

english, 2007

43

Kinetics of the Reaction of Methyl Radical with Hydroxyl Radical and Methanol Decomposition †

Jasper, Ahren W., Klippenstein, Stephen J., Harding, Lawrence B., Ruscic, Branko

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 253 KB

english, 2007

44

OH-Initiated Oxidation of Toluene. 1. Quantum Chemistry Investigation of the Reaction Path †

Frankcombe, Terry J., Smith, Sean C.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 100 KB

english, 2007

45

Flexing the Muscles of m -Divinylbenzene: Direct Measurement of the Barriers to Conformational Isomerization †

Selby, Talitha M., Zwier, Timothy S.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 359 KB

english, 2007

46

Ab Initio Study of the ClO + NH 2 Reaction: Prediction of the Total Rate Constant and Product Branching Ratios †

Zhu, R. S., Lin, M. C.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 166 KB

english, 2007

47

Ab Intio Based Potential Energy Surfaces and Franck−Condon Analysis of Ionization Thresholds of Cyclic-C 3 H and Linear-C 3 H †

Wang, Yimin, Braams, Bastiaan J., Bowman, Joel M.

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 186 KB

english, 2007

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