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Items: 1 to 50 of 88

1.

Influence of the Ether Functional Group on Ketohydroperoxide Formation in Cyclic Hydrocarbons: Tetrahydropyran and Cyclohexane.

Davis JC, Koritzke AL, Caravan RL, Antonov IO, Christianson MG, Doner AC, Osborn DL, Sheps L, Taatjes CA, Rotavera B.

J Phys Chem A. 2019 May 2;123(17):3634-3646. doi: 10.1021/acs.jpca.8b12510. Epub 2019 Apr 18.

PMID:
30865470
2.

Product Detection of the CH Radical Reactions with Ammonia and Methyl-Substituted Amines.

Bourgalais J, Caster KL, Durif O, Osborn DL, Le Picard SD, Goulay F.

J Phys Chem A. 2019 Mar 21;123(11):2178-2193. doi: 10.1021/acs.jpca.8b11688. Epub 2019 Mar 8.

PMID:
30803230
3.

Experimental and computational studies of Criegee intermediate reactions with NH3 and CH3NH2.

Chhantyal-Pun R, Shannon RJ, Tew DP, Caravan RL, Duchi M, Wong C, Ingham A, Feldman C, McGillen MR, Khan MAH, Antonov IO, Rotavera B, Ramasesha K, Osborn DL, Taatjes CA, Percival CJ, Shallcross DE, Orr-Ewing AJ.

Phys Chem Chem Phys. 2019 Jan 17. doi: 10.1039/c8cp06810k. [Epub ahead of print]

PMID:
30652179
4.

Reaction of Perfluorooctanoic Acid with Criegee Intermediates and Implications for the Atmospheric Fate of Perfluorocarboxylic Acids.

Taatjes CA, Khan MAH, Eskola AJ, Percival CJ, Osborn DL, Wallington TJ, Shallcross DE.

Environ Sci Technol. 2019 Feb 5;53(3):1245-1251. doi: 10.1021/acs.est.8b05073. Epub 2019 Jan 11.

PMID:
30589541
5.

The reaction of hydroxyl and methylperoxy radicals is not a major source of atmospheric methanol.

Caravan RL, Khan MAH, Zádor J, Sheps L, Antonov IO, Rotavera B, Ramasesha K, Au K, Chen MW, Rösch D, Osborn DL, Fittschen C, Schoemaecker C, Duncianu M, Grira A, Dusanter S, Tomas A, Percival CJ, Shallcross DE, Taatjes CA.

Nat Commun. 2018 Oct 19;9(1):4343. doi: 10.1038/s41467-018-06716-x.

6.

Direct kinetics study of CH2OO + methyl vinyl ketone and CH2OO + methacrolein reactions and an upper limit determination for CH2OO + CO reaction.

Eskola AJ, Döntgen M, Rotavera B, Caravan RL, Welz O, Savee JD, Osborn DL, Shallcross DE, Percival CJ, Taatjes CA.

Phys Chem Chem Phys. 2018 Jul 25;20(29):19373-19381. doi: 10.1039/c8cp03606c.

PMID:
29999060
7.

Photo-tautomerization of acetaldehyde as a photochemical source of formic acid in the troposphere.

Shaw MF, Sztáray B, Whalley LK, Heard DE, Millet DB, Jordan MJT, Osborn DL, Kable SH.

Nat Commun. 2018 Jul 3;9(1):2584. doi: 10.1038/s41467-018-04824-2.

8.

Vacuum ultraviolet photoionization cross section of the hydroxyl radical.

Dodson LG, Savee JD, Gozem S, Shen L, Krylov AI, Taatjes CA, Osborn DL, Okumura M.

J Chem Phys. 2018 May 14;148(18):184302. doi: 10.1063/1.5024249.

PMID:
29764149
9.

Study of low temperature chlorine atom initiated oxidation of methyl and ethyl butyrate using synchrotron photoionization TOF-mass spectrometry.

Czekner J, Taatjes CA, Osborn DL, Meloni G.

Phys Chem Chem Phys. 2018 Feb 21;20(8):5785-5794. doi: 10.1039/c7cp08221e.

PMID:
29411804
10.

Radical Thermometers, Thermochemistry, and Photoelectron Spectra: A Photoelectron Photoion Coincidence Spectroscopy Study of the Methyl Peroxy Radical.

Voronova K, Ervin KM, Torma KG, Hemberger P, Bodi A, Gerber T, Osborn DL, Sztáray B.

J Phys Chem Lett. 2018 Feb 1;9(3):534-539. doi: 10.1021/acs.jpclett.7b03145. Epub 2018 Jan 19.

PMID:
29290108
11.

The reaction of Criegee intermediate CH2OO with water dimer: primary products and atmospheric impact.

Sheps L, Rotavera B, Eskola AJ, Osborn DL, Taatjes CA, Au K, Shallcross DE, Khan MAH, Percival CJ.

Phys Chem Chem Phys. 2017 Aug 23;19(33):21970-21979. doi: 10.1039/c7cp03265j.

PMID:
28805226
12.

CRF-PEPICO: Double velocity map imaging photoelectron photoion coincidence spectroscopy for reaction kinetics studies.

Sztáray B, Voronova K, Torma KG, Covert KJ, Bodi A, Hemberger P, Gerber T, Osborn DL.

J Chem Phys. 2017 Jul 7;147(1):013944. doi: 10.1063/1.4984304.

PMID:
28688391
13.

Products of Criegee intermediate reactions with NO2: experimental measurements and tropospheric implications.

Caravan RL, Khan MAH, Rotavera B, Papajak E, Antonov IO, Chen MW, Au K, Chao W, Osborn DL, Lin JJ, Percival CJ, Shallcross DE, Taatjes CA.

Faraday Discuss. 2017 Aug 24;200:313-330. doi: 10.1039/c7fd00007c.

PMID:
28604897
14.

Time-resolved measurements of product formation in the low-temperature (550-675 K) oxidation of neopentane: a probe to investigate chain-branching mechanism.

Eskola AJ, Antonov IO, Sheps L, Savee JD, Osborn DL, Taatjes CA.

Phys Chem Chem Phys. 2017 May 31;19(21):13731-13745. doi: 10.1039/c7cp01366c.

PMID:
28503692
15.

Infrared Spectra of Gas-Phase 1- and 2-Propenol Isomers.

Shaw MF, Osborn DL, Jordan MJT, Kable SH.

J Phys Chem A. 2017 May 18;121(19):3679-3688. doi: 10.1021/acs.jpca.7b02323. Epub 2017 May 5.

PMID:
28436675
16.

Reaction Mechanisms on Multiwell Potential Energy Surfaces in Combustion (and Atmospheric) Chemistry.

Osborn DL.

Annu Rev Phys Chem. 2017 May 5;68:233-260. doi: 10.1146/annurev-physchem-040215-112151. Epub 2017 Mar 15.

PMID:
28301761
17.

Hydroxyacetone Production From C3 Criegee Intermediates.

Taatjes CA, Liu F, Rotavera B, Kumar M, Caravan R, Osborn DL, Thompson WH, Lester MI.

J Phys Chem A. 2017 Jan 12;121(1):16-23. doi: 10.1021/acs.jpca.6b07712. Epub 2016 Dec 30.

PMID:
28001404
18.

Resonance Stabilization Effects on Ketone Autoxidation: Isomer-Specific Cyclic Ether and Ketohydroperoxide Formation in the Low-Temperature (400-625 K) Oxidation of Diethyl Ketone.

Scheer AM, Eskola AJ, Osborn DL, Sheps L, Taatjes CA.

J Phys Chem A. 2016 Nov 3;120(43):8625-8636. Epub 2016 Oct 25.

PMID:
27726367
19.

Breaking through the false coincidence barrier in electron-ion coincidence experiments.

Osborn DL, Hayden CC, Hemberger P, Bodi A, Voronova K, Sztáray B.

J Chem Phys. 2016 Oct 28;145(16):164202.

PMID:
27802642
20.

Reactions of Atomic Carbon with Butene Isomers: Implications for Molecular Growth in Carbon-Rich Environments.

Bourgalais J, Spencer M, Osborn DL, Goulay F, Le Picard SD.

J Phys Chem A. 2016 Nov 23;120(46):9138-9150. Epub 2016 Nov 14.

PMID:
27798961
21.

Direct Measurements of Unimolecular and Bimolecular Reaction Kinetics of the Criegee Intermediate (CH3)2COO.

Chhantyal-Pun R, Welz O, Savee JD, Eskola AJ, Lee EP, Blacker L, Hill HR, Ashcroft M, Khan MA, Lloyd-Jones GC, Evans L, Rotavera B, Huang H, Osborn DL, Mok DK, Dyke JM, Shallcross DE, Percival CJ, Orr-Ewing AJ, Taatjes CA.

J Phys Chem A. 2017 Jan 12;121(1):4-15. doi: 10.1021/acs.jpca.6b07810. Epub 2016 Dec 22.

PMID:
27755879
22.

Pressure-Dependent Competition among Reaction Pathways from First- and Second-O2 Additions in the Low-Temperature Oxidation of Tetrahydrofuran.

Antonov IO, Zádor J, Rotavera B, Papajak E, Osborn DL, Taatjes CA, Sheps L.

J Phys Chem A. 2016 Aug 25;120(33):6582-95. doi: 10.1021/acs.jpca.6b05411. Epub 2016 Aug 12.

PMID:
27441526
23.

Low Temperature Chlorine-Initiated Oxidation of Small-Chain Methyl Esters: Quantification of Chain-Terminating HO2-Elimination Channels.

Muller G, Scheer A, Osborn DL, Taatjes CA, Meloni G.

J Phys Chem A. 2016 Mar 17;120(10):1677-90. doi: 10.1021/acs.jpca.6b00148. Epub 2016 Mar 8.

PMID:
26910881
24.

Time- and Isomer-Resolved Measurements of Sequential Addition of Acetylene to the Propargyl Radical.

Savee JD, Selby TM, Welz O, Taatjes CA, Osborn DL.

J Phys Chem Lett. 2015 Oct 15;6(20):4153-8. doi: 10.1021/acs.jpclett.5b01896. Epub 2015 Oct 6.

PMID:
26722791
25.

Photoelectron wave function in photoionization: plane wave or Coulomb wave?

Gozem S, Gunina AO, Ichino T, Osborn DL, Stanton JF, Krylov AI.

J Phys Chem Lett. 2015 Nov 19;6(22):4532-40. doi: 10.1021/acs.jpclett.5b01891. Epub 2015 Nov 4.

PMID:
26509428
26.

Formation and stability of gas-phase o-benzoquinone from oxidation of ortho-hydroxyphenyl: a combined neutral and distonic radical study.

Prendergast MB, Kirk BB, Savee JD, Osborn DL, Taatjes CA, Masters KS, Blanksby SJ, da Silva G, Trevitt AJ.

Phys Chem Chem Phys. 2016 Feb 14;18(6):4320-32. doi: 10.1039/c5cp02953h.

27.

Flow tube studies of the C((3)P) reactions with ethylene and propylene.

Capron M, Bourgalais J, Abhinavam Kailasanathan RK, Osborn DL, Le Picard SD, Goulay F.

Phys Chem Chem Phys. 2015 Oct 7;17(37):23833-46. doi: 10.1039/c5cp03918e. Epub 2015 Aug 25.

28.

Molecular weight growth in Titan's atmosphere: branching pathways for the reaction of 1-propynyl radical (H3CC≡C˙) with small alkenes and alkynes.

Kirk BB, Savee JD, Trevitt AJ, Osborn DL, Wilson KR.

Phys Chem Chem Phys. 2015 Aug 28;17(32):20754-64. doi: 10.1039/c5cp02589c. Epub 2015 Jul 24.

PMID:
26204935
29.

Multiplexed Photoionization Mass Spectrometry Investigation of the O((3)P) + Propyne Reaction.

Savee JD, Borkar S, Welz O, Sztáray B, Taatjes CA, Osborn DL.

J Phys Chem A. 2015 Jul 16;119(28):7388-403. doi: 10.1021/acs.jpca.5b00491. Epub 2015 May 18.

PMID:
25985181
30.

Multiscale Informatics for Low-Temperature Propane Oxidation: Further Complexities in Studies of Complex Reactions.

Burke MP, Goldsmith CF, Klippenstein SJ, Welz O, Huang H, Antonov IO, Savee JD, Osborn DL, Zádor J, Taatjes CA, Sheps L.

J Phys Chem A. 2015 Jul 16;119(28):7095-115. doi: 10.1021/acs.jpca.5b01003. Epub 2015 Jun 11.

PMID:
25946172
31.

Synchrotron-based double imaging photoelectron/photoion coincidence spectroscopy of radicals produced in a flow tube: OH and OD.

Garcia GA, Tang X, Gil JF, Nahon L, Ward M, Batut S, Fittschen C, Taatjes CA, Osborn DL, Loison JC.

J Chem Phys. 2015 Apr 28;142(16):164201. doi: 10.1063/1.4918634.

PMID:
25933756
32.

Low temperature (550-700 K) oxidation pathways of cyclic ketones: dominance of HO2-elimination channels yielding conjugated cyclic coproducts.

Scheer AM, Welz O, Vasu SS, Osborn DL, Taatjes CA.

Phys Chem Chem Phys. 2015 May 14;17(18):12124-34. doi: 10.1039/c4cp06097k.

PMID:
25877515
33.

New Insights into Low-Temperature Oxidation of Propane from Synchrotron Photoionization Mass Spectrometry and Multiscale Informatics Modeling.

Welz O, Burke MP, Antonov IO, Goldsmith CF, Savee JD, Osborn DL, Taatjes CA, Klippenstein SJ, Sheps L.

J Phys Chem A. 2015 Jul 16;119(28):7116-29. doi: 10.1021/acs.jpca.5b01008. Epub 2015 May 1.

PMID:
25860187
34.

Carbon radicals. Direct observation and kinetics of a hydroperoxyalkyl radical (QOOH).

Savee JD, Papajak E, Rotavera B, Huang H, Eskola AJ, Welz O, Sheps L, Taatjes CA, Zádor J, Osborn DL.

Science. 2015 Feb 6;347(6222):643-6. doi: 10.1126/science.aaa1495.

35.

VUV photoionization cross sections of HO2, H2O2, and H2CO.

Dodson LG, Shen L, Savee JD, Eddingsaas NC, Welz O, Taatjes CA, Osborn DL, Sander SP, Okumura M.

J Phys Chem A. 2015 Feb 26;119(8):1279-91. doi: 10.1021/jp508942a. Epub 2015 Feb 10.

PMID:
25621533
36.

Photoionization mass spectrometric measurements of initial reaction pathways in low-temperature oxidation of 2,5-dimethylhexane.

Rotavera B, Zádor J, Welz O, Sheps L, Scheer AM, Savee JD, Akbar Ali M, Lee TS, Simmons BA, Osborn DL, Violi A, Taatjes CA.

J Phys Chem A. 2014 Nov 6;118(44):10188-200. doi: 10.1021/jp507811d. Epub 2014 Oct 28.

PMID:
25234586
37.

Electronic states of the quasilinear molecule propargylene (HCCCH) from negative ion photoelectron spectroscopy.

Osborn DL, Vogelhuber KM, Wren SW, Miller EM, Lu YJ, Case AS, Sheps L, McMahon RJ, Stanton JF, Harding LB, Ruscic B, Lineberger WC.

J Am Chem Soc. 2014 Jul 23;136(29):10361-72. doi: 10.1021/ja5039984. Epub 2014 Jul 10.

PMID:
25009990
38.

Synchrotron Photoionization Study of Mesitylene Oxidation Initiated by Reaction with Cl(2P) or O(3P) Radicals.

Ng MY, Nelson J, Taatjes CA, Osborn DL, Meloni G.

J Phys Chem A. 2014 May 29;118(21):3735-3748. doi: 10.1021/jp500260f. Epub 2014 May 15.

PMID:
24766093
39.

Rate coefficients of C(1) and C(2) Criegee intermediate reactions with formic and acetic Acid near the collision limit: direct kinetics measurements and atmospheric implications.

Welz O, Eskola AJ, Sheps L, Rotavera B, Savee JD, Scheer AM, Osborn DL, Lowe D, Murray Booth A, Xiao P, Anwar H Khan M, Percival CJ, Shallcross DE, Taatjes CA.

Angew Chem Int Ed Engl. 2014 Apr 25;53(18):4547-50. doi: 10.1002/anie.201400964. Epub 2014 Mar 25.

40.

Low-temperature combustion chemistry of novel biofuels: resonance-stabilized QOOH in the oxidation of diethyl ketone.

Scheer AM, Welz O, Zádor J, Osborn DL, Taatjes CA.

Phys Chem Chem Phys. 2014 Jul 14;16(26):13027-40. doi: 10.1039/c3cp55468f.

PMID:
24585023
41.
42.

Isomer specific product detection in the reaction of CH with acrolein.

Lockyear JF, Welz O, Savee JD, Goulay F, Trevitt AJ, Taatjes CA, Osborn DL, Leone SR.

J Phys Chem A. 2013 Oct 31;117(43):11013-26. doi: 10.1021/jp407428v. Epub 2013 Oct 22.

PMID:
24088057
43.

Facile rearrangement of 3-oxoalkyl radicals is evident in low-temperature gas-phase oxidation of ketones.

Scheer AM, Welz O, Sasaki DY, Osborn DL, Taatjes CA.

J Am Chem Soc. 2013 Sep 25;135(38):14256-65. doi: 10.1021/ja405892y. Epub 2013 Sep 13. Erratum in: J Am Chem Soc. 2014 Jun 11;136(23):8486.

PMID:
23971980
44.

Note: absolute photoionization cross-section of the vinyl radical.

Savee JD, Lockyear JF, Borkar S, Eskola AJ, Welz O, Taatjes CA, Osborn DL.

J Chem Phys. 2013 Aug 7;139(5):056101. doi: 10.1063/1.4817320. No abstract available.

PMID:
23927291
45.

Product branching fractions of the CH + propene reaction from synchrotron photoionization mass spectrometry.

Trevitt AJ, Prendergast MB, Goulay F, Savee JD, Osborn DL, Taatjes CA, Leone SR.

J Phys Chem A. 2013 Aug 1;117(30):6450-7. doi: 10.1021/jp404965k. Epub 2013 Jul 18.

PMID:
23829558
46.

Low-temperature combustion chemistry of n-butanol: principal oxidation pathways of hydroxybutyl radicals.

Welz O, Zádor J, Savee JD, Sheps L, Osborn DL, Taatjes CA.

J Phys Chem A. 2013 Nov 21;117(46):11983-2001. doi: 10.1021/jp403792t. Epub 2013 Jul 24.

PMID:
23808372
47.

Directly measuring reaction kinetics of ˙QOOH--a crucial but elusive intermediate in hydrocarbon autoignition.

Zádor J, Huang H, Welz O, Zetterberg J, Osborn DL, Taatjes CA.

Phys Chem Chem Phys. 2013 Jul 14;15(26):10753-60. doi: 10.1039/c3cp51185e. Epub 2013 May 21.

PMID:
23689671
48.

Direct measurements of conformer-dependent reactivity of the Criegee intermediate CH3CHOO.

Taatjes CA, Welz O, Eskola AJ, Savee JD, Scheer AM, Shallcross DE, Rotavera B, Lee EP, Dyke JM, Mok DK, Osborn DL, Percival CJ.

Science. 2013 Apr 12;340(6129):177-80. doi: 10.1126/science.1234689.

49.

Formation of dimethylketene and methacrolein by reaction of the CH radical with acetone.

Goulay F, Derakhshan A, Maher E, Trevitt AJ, Savee JD, Scheer AM, Osborn DL, Taatjes CA.

Phys Chem Chem Phys. 2013 Mar 21;15(11):4049-58. doi: 10.1039/c3cp43829e.

PMID:
23403615
50.

Regional and global impacts of Criegee intermediates on atmospheric sulphuric acid concentrations and first steps of aerosol formation.

Percival CJ, Welz O, Eskola AJ, Savee JD, Osborn DL, Topping DO, Lowe D, Utembe SR, Bacak A, McFiggans G, Cooke MC, Xiao P, Archibald AT, Jenkin ME, Derwent RG, Riipinen I, Mok DW, Lee EP, Dyke JM, Taatjes CA, Shallcross DE.

Faraday Discuss. 2013;165:45-73.

PMID:
24600996

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