| Year |
Citation |
Score |
| 2022 |
Nguyen TL, Perera A, Peeters J. High-accuracy first-principles-based rate coefficients for the reaction of OH and CHOOH. Physical Chemistry Chemical Physics : Pccp. 24: 26684-26691. PMID 36300848 DOI: 10.1039/d2cp03919b |
0.351 |
|
| 2019 |
Müller J, Stavrakou T, Peeters J. Chemistry and deposition in the Model of Atmospheric composition at Global and Regional scales using Inversion Techniques for Trace gas Emissions (MAGRITTE v1.1) – Part 1: Chemical mechanism Geoscientific Model Development. 12: 2307-2356. DOI: 10.5194/Gmd-12-2307-2019 |
0.426 |
|
| 2018 |
Liu Z, Nguyen VS, Harvey J, Müller JF, Peeters J. The photolysis of α-hydroperoxycarbonyls. Physical Chemistry Chemical Physics : Pccp. PMID 29465129 DOI: 10.1039/C7Cp08421H |
0.456 |
|
| 2017 |
Liu Z, Nguyen VS, Harvey J, Müller JF, Peeters J. Theoretically derived mechanisms of HPALD photolysis in isoprene oxidation. Physical Chemistry Chemical Physics : Pccp. PMID 28317054 DOI: 10.1039/C7Cp00288B |
0.463 |
|
| 2016 |
Müller JF, Liu Z, Nguyen VS, Stavrakou T, Harvey JN, Peeters J. The reaction of methyl peroxy and hydroxyl radicals as a major source of atmospheric methanol. Nature Communications. 7: 13213. PMID 27748363 DOI: 10.1038/Ncomms13213 |
0.482 |
|
| 2015 |
Peeters J, Nguyen VS, Müller JF. Atmospheric Vinyl Alcohol to Acetaldehyde Tautomerization Revisited. The Journal of Physical Chemistry Letters. 6: 4005-11. PMID 26722769 DOI: 10.1021/Acs.Jpclett.5B01787 |
0.429 |
|
| 2015 |
Nguyen VS, Peeters J. Fast (E)-(Z) Isomerization Mechanisms of Substituted Allyloxy Radicals in Isoprene Oxidation. The Journal of Physical Chemistry. A. PMID 25658132 DOI: 10.1021/Jp512057T |
0.443 |
|
| 2014 |
Peeters J, Müller JF, Stavrakou T, Nguyen VS. Hydroxyl radical recycling in isoprene oxidation driven by hydrogen bonding and hydrogen tunneling: the upgraded LIM1 mechanism. The Journal of Physical Chemistry. A. 118: 8625-43. PMID 25010574 DOI: 10.1021/Jp5033146 |
0.48 |
|
| 2014 |
Müller JF, Peeters J, Stavrakou T. Fast photolysis of carbonyl nitrates from isoprene Atmospheric Chemistry and Physics. 14: 2497-2508. DOI: 10.5194/Acp-14-2497-2014 |
0.378 |
|
| 2013 |
Vu ND, Khamaganov V, Nguyen VS, Carl SA, Peeters J. Absolute rate coefficient of the gas-phase reaction between hydroxyl radical (OH) and hydroxyacetone: investigating the effects of temperature and pressure. The Journal of Physical Chemistry. A. 117: 12208-15. PMID 24156307 DOI: 10.1021/Jp407701Z |
0.345 |
|
| 2012 |
Nguyen VS, Elsamra RM, Peeters J, Carl SA, Nguyen MT. Experimental and theoretical study of the reaction of the ethynyl radical with nitrous oxide, C2H + N2O. Physical Chemistry Chemical Physics : Pccp. 14: 7456-70. PMID 22517118 DOI: 10.1039/C2Cp40367F |
0.476 |
|
| 2012 |
Vereecken L, Peeters J. A theoretical study of the OH-initiated gas-phase oxidation mechanism of β-pinene (C10H16): first generation products. Physical Chemistry Chemical Physics : Pccp. 14: 3802-15. PMID 22322794 DOI: 10.1039/C2Cp23711C |
0.497 |
|
| 2012 |
Peeters J, Nguyen TL. Unusually fast 1,6-h shifts of enolic hydrogens in peroxy radicals: formation of the first-generation C2 and C3 carbonyls in the oxidation of isoprene. The Journal of Physical Chemistry. A. 116: 6134-41. PMID 22250921 DOI: 10.1021/Jp211447G |
0.442 |
|
| 2011 |
Delabie A, Swerts J, Elshocht SV, Jung SH, Raisanen PI, Givens ME, Shero EJ, Peeters J, MacHkaoutsan V, Maes JW. Ozone based atomic layer deposition of hafnium oxide and impact of nitrogen oxide species Journal of the Electrochemical Society. 158: D259-D263. DOI: 10.1149/1.3561423 |
0.338 |
|
| 2011 |
Swinnen S, Elsamra RMI, Nguyen VS, Peeters J, Carl SA, Nguyen MT. Theoretical and experimental investigation of the C 2H + SO 2 reaction over the range T = 295-800 K Chemical Physics Letters. 513: 201-207. DOI: 10.1016/J.Cplett.2011.07.098 |
0.397 |
|
| 2010 |
Turrà N, Neuenschwander U, Baiker A, Peeters J, Hermans I. Mechanism of the catalytic deperoxidation of tert-butylhydroperoxide with cobalt(II) acetylacetonate. Chemistry (Weinheim An Der Bergstrasse, Germany). 16: 13226-35. PMID 20945308 DOI: 10.1002/Chem.201000489 |
0.782 |
|
| 2010 |
Peeters J, Müller JF. HO(x) radical regeneration in isoprene oxidation via peroxy radical isomerisations. II: experimental evidence and global impact. Physical Chemistry Chemical Physics : Pccp. 12: 14227-35. PMID 20882226 DOI: 10.1039/C0Cp00811G |
0.458 |
|
| 2010 |
Nguyen TL, Vereecken L, Peeters J. HOx regeneration in the oxidation of isoprene III: theoretical study of the key isomerisation of the Z-δ-hydroxy-peroxy isoprene radicals. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 11: 3996-4001. PMID 20865719 DOI: 10.1002/Cphc.201000480 |
0.456 |
|
| 2010 |
Vereecken L, Peeters J. A structure-activity relationship for the rate coefficient of H-migration in substituted alkoxy radicals. Physical Chemistry Chemical Physics : Pccp. 12: 12608-20. PMID 20730184 DOI: 10.1039/C0Cp00387E |
0.407 |
|
| 2010 |
Vranckx S, Peeters J, Carl S. Kinetics of O(1D) + H2O and O(1D) + H2: absolute rate coefficients and O(3P) yields between 227 and 453 K. Physical Chemistry Chemical Physics : Pccp. 12: 9213-21. PMID 20577663 DOI: 10.1039/B923959F |
0.343 |
|
| 2010 |
Stavrakou T, Peeters J, Müller JF. Improved global modelling of HOx recycling in isoprene oxidation: Evaluation against the GABRIEL and INTEX-A aircraft campaign measurements Atmospheric Chemistry and Physics. 10: 9863-9878. DOI: 10.5194/Acp-10-9863-2010 |
0.318 |
|
| 2010 |
Nguyen TL, Vereecken L, Peeters J. Theoretical Study of the HOCH2OO• + HO2• Reaction: Detailed Molecular Mechanisms of the Three Reaction Channels Zeitschrift FüR Physikalische Chemie. 224: 1081-1093. DOI: 10.1524/Zpch.2010.6142 |
0.376 |
|
| 2010 |
Delabie A, Caymax M, Gielis S, Maes JW, Nyns L, Popovici M, Swerts J, Tielens H, Peeters J, Van Elshocht S. Ozone-based metal oxide atomic layer deposition: Impact of N2 / O2 supply ratio in ozone generation Electrochemical and Solid-State Letters. 13: H176-H178. DOI: 10.1149/1.3355207 |
0.307 |
|
| 2009 |
Nguyen TL, Peeters J, Vereecken L. Theoretical study of the gas-phase ozonolysis of beta-pinene (C10H16). Physical Chemistry Chemical Physics : Pccp. 11: 5643-56. PMID 19842482 DOI: 10.1039/B822984H |
0.432 |
|
| 2009 |
Vereecken L, Peeters J. Decomposition of substituted alkoxy radicals--part I: a generalized structure-activity relationship for reaction barrier heights. Physical Chemistry Chemical Physics : Pccp. 11: 9062-74. PMID 19812826 DOI: 10.1039/B909712K |
0.455 |
|
| 2009 |
Peeters J, Nguyen TL, Vereecken L. HOx radical regeneration in the oxidation of isoprene. Physical Chemistry Chemical Physics : Pccp. 11: 5935-9. PMID 19588016 DOI: 10.1039/B908511D |
0.409 |
|
| 2009 |
Vetters B, Dils B, Nguyen TL, Vereecken L, Carl SA, Peeters J. Absolute rate coefficients over extended temperature ranges and mechanisms of the CF(X(2)Pi) reactions with F(2), Cl(2) and O(2). Physical Chemistry Chemical Physics : Pccp. 11: 4319-25. PMID 19458834 DOI: 10.1039/B819984A |
0.373 |
|
| 2009 |
Nguyen TL, Winterhalter R, Moortgat G, Kanawati B, Peeters J, Vereecken L. The gas-phase ozonolysis of beta-caryophyllene (C(15)H(24)). Part II: A theoretical study. Physical Chemistry Chemical Physics : Pccp. 11: 4173-83. PMID 19458819 DOI: 10.1039/B817913A |
0.478 |
|
| 2009 |
Winterhalter R, Herrmann F, Kanawati B, Nguyen TL, Peeters J, Vereecken L, Moortgat GK. The gas-phase ozonolysis of beta-caryophyllene (C(15)H(24)). Part I: an experimental study. Physical Chemistry Chemical Physics : Pccp. 11: 4152-72. PMID 19458818 DOI: 10.1039/B817824K |
0.41 |
|
| 2008 |
Vranckx S, Peeters J, Carl S. A temperature dependence kinetic study of O(1D) + CH4: overall rate coefficient and product yields. Physical Chemistry Chemical Physics : Pccp. 10: 5714-22. PMID 18956106 DOI: 10.1039/B804903C |
0.37 |
|
| 2008 |
Hermans I, Jacobs P, Peeters J. Pronounced non-Arrhenius behaviour of hydrogen-abstractions from toluene and derivatives by phthalimide-N-oxyl radicals: a theoretical study. Physical Chemistry Chemical Physics : Pccp. 10: 1125-32. PMID 18270614 DOI: 10.1039/B716932A |
0.665 |
|
| 2008 |
Hermans I, Peeters J, Jacobs PA. Origin of byproducts during the catalytic autoxidation of cyclohexane. The Journal of Physical Chemistry. A. 112: 1747-53. PMID 18247511 DOI: 10.1021/Jp709570M |
0.702 |
|
| 2008 |
Vranckx S, Peeters J, Carl SA. Absolute rate constant and O(3P) yield for the O( 1D)+N2O reaction in the temperature range 227 K to 719 K Atmospheric Chemistry and Physics. 8: 6261-6272. DOI: 10.5194/Acp-8-6261-2008 |
0.398 |
|
| 2008 |
Capouet M, Müller JF, Ceulemans K, Compernolle S, Vereecken L, Peeters J. Modeling aerosol formation in alpha-pinene photo-oxidation experiments Journal of Geophysical Research Atmospheres. 113. DOI: 10.1029/2007Jd008995 |
0.409 |
|
| 2008 |
Hermans I, Peeters J, Jacobs PA. Autoxidation of hydrocarbons: From chemistry to catalysis Topics in Catalysis. 50: 124-132. DOI: 10.1007/S11244-008-9099-7 |
0.625 |
|
| 2008 |
Hermans I, Peeters J, Jacobs PA. Autoxidation chemistry: Bridging the gap between homogeneous radical chemistry and (heterogeneous) catalysis Topics in Catalysis. 48: 41-48. DOI: 10.1007/S11244-008-9051-X |
0.62 |
|
| 2007 |
Vereecken L, Müller JF, Peeters J. Low-volatility poly-oxygenates in the OH-initiated atmospheric oxidation of alpha-pinene: impact of non-traditional peroxyl radical chemistry. Physical Chemistry Chemical Physics : Pccp. 9: 5241-8. PMID 19459287 DOI: 10.1039/B708023A |
0.449 |
|
| 2007 |
Hermans I, Peeters J, Vereecken L, Jacobs PA. Mechanism of thermal toluene autoxidation. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 8: 2678-88. PMID 18061915 DOI: 10.1002/Cphc.200700563 |
0.709 |
|
| 2007 |
Hermans I, Breynaert E, Poelman H, De Gryse R, Liang D, Van Tendeloo G, Maes A, Peeters J, Jacobs P. Silica-supported chromium oxide: colloids as building blocks. Physical Chemistry Chemical Physics : Pccp. 9: 5382-6. PMID 17914476 DOI: 10.1039/B706601E |
0.603 |
|
| 2007 |
Hermans I, Moens B, Peeters J, Jacobs P, Sels B. Diazo chemistry controlling the selectivity of olefin ketonisation by nitrous oxide. Physical Chemistry Chemical Physics : Pccp. 9: 4269-74. PMID 17687475 DOI: 10.1039/B704351A |
0.694 |
|
| 2007 |
Carl SA, Vereecken L, Peeters J. Kinetic parameters for gas-phase reactions: experimental and theoretical challenges. Physical Chemistry Chemical Physics : Pccp. 9: 4071-84. PMID 17687459 DOI: 10.1039/B705505F |
0.492 |
|
| 2007 |
Nguyen TL, Carl SA, Nguyen MT, Peeters J. Quantum chemical and statistical rate investigation of the CF2(a3B1)+NO(X2Pi) reaction: a fast chemical quenching process. The Journal of Physical Chemistry. A. 111: 6628-36. PMID 17388302 DOI: 10.1021/Jp068284I |
0.414 |
|
| 2007 |
Hermans I, Peeters J, Jacobs PA. Autoxidation of ethylbenzene: the mechanism elucidated. The Journal of Organic Chemistry. 72: 3057-64. PMID 17362045 DOI: 10.1021/Jo070040M |
0.716 |
|
| 2007 |
Peeters J, Boullart W, Pultau V, Vandenberk S, Vereecken L. Structure-activity relationship for the addition of OH to (poly)alkenes: site-specific and total rate constants. The Journal of Physical Chemistry. A. 111: 1618-31. PMID 17298042 DOI: 10.1021/Jp066973O |
0.406 |
|
| 2007 |
Hermans I, Jacobs P, Peeters J. Autoxidation catalysis with N-hydroxyimides: more-reactive radicals or just more radicals? Physical Chemistry Chemical Physics : Pccp. 9: 686-90. PMID 17268679 DOI: 10.1039/B616392K |
0.677 |
|
| 2007 |
Karunanandan R, Hölscher D, Dillon TJ, Horowitz A, Crowley JN, Vereecken L, Peeters J. Reaction of HO with glycolaldehyde, HOCH2CHO: rate coefficients (240-362 K) and mechanism. The Journal of Physical Chemistry. A. 111: 897-908. PMID 17266231 DOI: 10.1021/Jp0649504 |
0.406 |
|
| 2007 |
Nguyen TL, Peeters J, Vereecken L. Theoretical reinvestigation of the O(3P) + C6H6 reaction: quantum chemical and statistical rate calculations. The Journal of Physical Chemistry. A. 111: 3836-49. PMID 17253662 DOI: 10.1021/Jp0660886 |
0.485 |
|
| 2007 |
Hermans I, Jacobs P, Peeters J. The formation of byproducts in the autoxidation of cyclohexane. Chemistry (Weinheim An Der Bergstrasse, Germany). 13: 754-61. PMID 17154321 DOI: 10.1002/Chem.200601242 |
0.701 |
|
| 2007 |
Hermans I, Van Deun J, Houthoofd K, Peeters J, Jacobs PA. Silica-immobilized N-hydroxyphthalimide: An efficient heterogeneous autoxidation catalyst Journal of Catalysis. 251: 204-212. DOI: 10.1016/J.Jcat.2007.06.025 |
0.625 |
|
| 2007 |
Hermans I, Jacobs P, Peeters J. Cover Picture: The Formation of Byproducts in the Autoxidation of Cyclohexane (Chem. Eur. J. 3/2007) Chemistry - a European Journal. 13: 723-723. DOI: 10.1002/Chem.200790008 |
0.617 |
|
| 2007 |
Hermans I, Janssen K, Moens B, Philippaerts A, Van Berlo B, Peeters J, Jacobs PA, Sels BF. Solvent- and metal-free ketonization of fatty acid methyl esters and triacylglycerols with nitrous oxide Advanced Synthesis and Catalysis. 349: 1604-1608. DOI: 10.1002/Adsc.200600645 |
0.653 |
|
| 2007 |
Hermans I, Breynaert E, Maes A, Peeters J, Jacobs PA. Hydrocarbon autoxidation chemistry: New mechanism, new opportunities Acs National Meeting Book of Abstracts. |
0.547 |
|
| 2006 |
Khamaganov VG, Bui VX, Carl SA, Peeters J. Absolute rate coefficient of the OH + CH(3)C(O)OH reaction at T = 287-802 K. The two faces of pre-reactive H-bonding. The Journal of Physical Chemistry. A. 110: 12852-9. PMID 17125300 DOI: 10.1021/Jp064922L |
0.425 |
|
| 2006 |
Nguyen TL, Peeters J, Vereecken L. Quantum chemical and statistical rate study of the reaction of O(3P) with allene: O-addition and H-abstraction channels. The Journal of Physical Chemistry. A. 110: 12166-76. PMID 17078612 DOI: 10.1021/Jp0639905 |
0.458 |
|
| 2006 |
Breynaert E, Hermans I, Lambie B, Maes G, Peeters J, Maes A, Jacobs P. Silica-immobilized chromium colloids for cyclohexane autoxidation. Angewandte Chemie (International Ed. in English). 45: 7584-8. PMID 17042036 DOI: 10.1002/Anie.200602736 |
0.566 |
|
| 2006 |
Nguyen TL, Vereecken L, Peeters J. Quantum chemical and theoretical kinetics study of the O(3P) + C2H2 reaction: a multistate process. The Journal of Physical Chemistry. A. 110: 6696-706. PMID 16722685 DOI: 10.1021/Jp055961K |
0.436 |
|
| 2006 |
Hermans I, Peeters J, Jacobs PA. Enhanced activity and selectivity in cyclohexane autoxidation by inert H-bond acceptor catalysts. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 7: 1142-8. PMID 16625678 DOI: 10.1002/Cphc.200600074 |
0.669 |
|
| 2006 |
Hermans I, Jacobs PA, Peeters J. To the core of autocatalysis in cyclohexane autoxidation. Chemistry (Weinheim An Der Bergstrasse, Germany). 12: 4229-40. PMID 16619321 DOI: 10.1002/Chem.200600189 |
0.728 |
|
| 2006 |
Dillon TJ, Horowitz A, Hölscher D, Crowley JN, Vereecken L, Peeters J. Reaction of HO with hydroxyacetone (HOCH2C(O)CH3): rate coefficients (233-363 K) and mechanism. Physical Chemistry Chemical Physics : Pccp. 8: 236-46. PMID 16482266 DOI: 10.1039/B513056E |
0.432 |
|
| 2006 |
Nguyen HMT, Peeters J, Zeegers-Huyskens T. Theoretical study of the blue-shifting hydrogen bonds between CH2X2 and CHX3 (X=F, Cl, Br) and hydrogen peroxide Journal of Molecular Structure. 792: 16-22. DOI: 10.1016/J.Molstruc.2005.12.059 |
0.34 |
|
| 2006 |
Hermans I, Jacobs PA, Peeters J. Understanding the autoxidation of hydrocarbons at the molecular level and consequences for catalysis Journal of Molecular Catalysis a: Chemical. 251: 221-228. DOI: 10.1016/J.Molcata.2006.02.005 |
0.697 |
|
| 2005 |
Dils B, Vertommen J, Carl SA, Vereecken L, Peeters J. The kinetics of the CF3 + CF3 and CF3 + F combination reactions at 290 K and at He-pressures of approximately 1-6 Torr. Physical Chemistry Chemical Physics : Pccp. 7: 1187-93. PMID 19791332 DOI: 10.1039/B412926A |
0.358 |
|
| 2005 |
De Smedt F, Bui XV, Nguyen TL, Peeters J, Vereecken L. Theoretical and experimental study of the product branching in the reaction of acetic acid with OH radicals. The Journal of Physical Chemistry. A. 109: 2401-9. PMID 16839011 DOI: 10.1021/Jp044679V |
0.47 |
|
| 2005 |
Nguyen TL, Vereecken L, Hou XJ, Nguyen MT, Peeters J. Potential energy surfaces, product distributions and thermal rate coefficients of the reaction of O(3P) with C2H4(X1Ag): a comprehensive theoretical study. The Journal of Physical Chemistry. A. 109: 7489-99. PMID 16834118 DOI: 10.1021/Jp052970K |
0.435 |
|
| 2005 |
Hermans I, Müller JF, Nguyen TL, Jacobs PA, Peeters J. Kinetics of alpha-hydroxy-alkylperoxyl radicals in oxidation processes. HO2*-initiated oxidation of ketones/aldehydes near the tropopause. The Journal of Physical Chemistry. A. 109: 4303-11. PMID 16833760 DOI: 10.1021/Jp044080V |
0.71 |
|
| 2005 |
Nguyen TL, Dils B, Carl SA, Vereecken L, Peeters J. Experimental and theoretical studies of the C2F4 + O reaction: nonadiabatic reaction mechanism. The Journal of Physical Chemistry. A. 109: 9786-94. PMID 16833292 DOI: 10.1021/Jp053585Y |
0.411 |
|
| 2005 |
Hermans I, Nguyen TL, Jacobs PA, Peeters J. Autoxidation of cyclohexane: conventional views challenged by theory and experiment. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 6: 637-45. PMID 15881579 DOI: 10.1002/Cphc.200400211 |
0.741 |
|
| 2005 |
Carl SA, Nguyen HM, Elsamra RM, Nguyen MT, Peeters J. Pulsed laser photolysis and quantum chemical-statistical rate study of the reaction of the ethynyl radical with water vapor. The Journal of Chemical Physics. 122: 114307. PMID 15836215 DOI: 10.1063/1.1861887 |
0.436 |
|
| 2005 |
Nguyen HMT, Hue TT, Peeters J, Nguyen MT. Quantum chemical study of the electronic structure of the 1-methylene-3,5-didehydrobenzene triradical (C7H5) Chemical Physics Letters. 404: 150-155. DOI: 10.1016/J.Cplett.2005.01.036 |
0.316 |
|
| 2005 |
Hou XJ, Nguyen TL, Carl SA, Peeters J, Nguyen MT. Theoretical study of the kinetics of hydrogen abstraction in reactions of simple hydrogen compounds with triplet difluorocarbene Chemical Physics Letters. 402: 460-467. DOI: 10.1016/J.Cplett.2004.12.087 |
0.395 |
|
| 2005 |
Nguyen HMT, Höltzl T, Gopakumar G, Veszprémi T, Peeters J, Nguyen MT. Energetics and chemical bonding of the 1,3,5-tridehydrobenzene triradical and its protonated form Chemical Physics. 316: 125-140. DOI: 10.1016/J.Chemphys.2005.05.006 |
0.348 |
|
| 2004 |
Hermans I, Nguyen TL, Jacobs PA, Peeters J. Tropopause chemistry revisited: HO2*-initiated oxidation as an efficient acetone sink. Journal of the American Chemical Society. 126: 9908-9. PMID 15303850 DOI: 10.1021/Ja0467317 |
0.695 |
|
| 2004 |
Hermans I, Vereecken L, Jacobs PA, Peeters J. Mechanism of the catalytic oxidation of hydrocarbons by N-hydroxyphthalimide: a theoretical study. Chemical Communications (Cambridge, England). 1140-1. PMID 15116224 DOI: 10.1039/B401050G |
0.639 |
|
| 2004 |
Capouet M, Peeters J, Nozière B, Müller JF. Alpha-pinene oxidation by OH: Simulations of laboratory experiments Atmospheric Chemistry and Physics. 4: 2285-2311. DOI: 10.5194/Acp-4-2285-2004 |
0.403 |
|
| 2004 |
Nguyen HMT, Carl SA, Peeters J, Nguyen MT. Theoretical study of the reaction of the ethynyl radical with ammonia (C2H + NH3): Hydrogen abstraction versus condensation Physical Chemistry Chemical Physics. 6: 4111-4117. DOI: 10.1039/B404337E |
0.434 |
|
| 2004 |
Dils B, Kulkarni RM, Peeters J, Carl SA. Absolute rate coefficients of the reactions of CF2(ã 3B1) with C3H8, C3H 6, iso-C4H8 and C3H4 between 295 and 550 K Physical Chemistry Chemical Physics. 6: 2211-2215. DOI: 10.1039/B315328B |
0.334 |
|
| 2004 |
Peeters J, Fantechi G, Vereecken L. A generalized Structure-Activity Relationship for the decomposition of (Substituted) alkoxy radicals Journal of Atmospheric Chemistry. 48: 59-80. DOI: 10.1023/B:Joch.0000034510.07694.Ce |
0.432 |
|
| 2004 |
Vereecken L, Peeters J. Nontraditional (per)oxy ring-closure paths in the atmospheric oxidation of isoprene and monoterpenes Journal of Physical Chemistry A. 108: 5197-5204. DOI: 10.1021/Jp049219G |
0.451 |
|
| 2004 |
Nguyen HMT, Gopakumar G, Peeters J, Nguyen MT. The 5-dehydro-m-xylylene triradical and its nitrogen and phosphorus derivatives: Open-shell doublet versus quartet ground state Journal of Physical Chemistry A. 108: 8411-8418. DOI: 10.1021/Jp047768G |
0.322 |
|
| 2004 |
Nguyen HMT, Nguyen MT, Peeters J, Zeegers-Huyskens T. Theoretical study of the interaction between methyl fluoride, methyl chloride, and methyl bromide with hydrogen peroxide Journal of Physical Chemistry A. 108: 11101-11108. DOI: 10.1021/Jp0404044 |
0.33 |
|
| 2004 |
Carl SA, Elsamra RMI, Kulkarni RM, Nguyen HMT, Peeters J. No barrier for the gas-phase C2H + NH3 reaction Journal of Physical Chemistry A. 108: 3695-3698. DOI: 10.1021/Jp0377580 |
0.471 |
|
| 2004 |
Nguyen HMT, Peeters J, Nguyen MT, Chandra AK. Use of DFT-Based Reactivity Descriptors for Rationalizing Radical Reactions: A Critical Analysis Journal of Physical Chemistry A. 108: 484-489. DOI: 10.1021/Jp036079M |
0.491 |
|
| 2004 |
Vereecken L, Nguyen TL, Hermans I, Peeters J. Computational study of the stability of α-hydroperoxyl- or α-alkylperoxyl substituted alkyl radicals Chemical Physics Letters. 393: 432-436. DOI: 10.1016/J.Cplett.2004.06.076 |
0.604 |
|
| 2004 |
Nguyen HMT, Zhang S, Peeters J, Truong TN, Nguyen MT. Direct ab initio dynamics studies of the reactions of HNO with H and OH radicals Chemical Physics Letters. 388: 94-99. DOI: 10.1016/J.Cplett.2004.03.005 |
0.455 |
|
| 2004 |
Hermans I, Nguyen TL, Jacobs PA, Peeters J. Improved mechanism for the autoxidation of cyclohexane from theoretical and experimental evidence Acs National Meeting Book of Abstracts. 227: COMP-189. |
0.465 |
|
| 2003 |
Vereecken L, Peeters J. The 1,5-shift in 1-butoxy: A case study in the rigorous implementation of transition state theory for a multirotamer system Journal of Chemical Physics. 119: 5159-5170. DOI: 10.1063/1.1597479 |
0.388 |
|
| 2003 |
Carl SA, Nguyen HMT, Nguyen MT, Peeters J. An experimental and theoretical study of the reaction of ethynyl radicals with nitrogen dioxide (HC≡C+NO2) Journal of Chemical Physics. 118: 10996-11008. DOI: 10.1063/1.1573192 |
0.419 |
|
| 2003 |
Kaiser RI, Vereecken L, Peeters J, Bettinger HF, Schleyer PVR, Schaefer HF. Elementary reactions of the phenyl radical, C6H5, with C3H4 isomers, and of benzene, C6H6, with atomic carbon in extraterrestrial environments Astronomy and Astrophysics. 406: 385-391. DOI: 10.1051/0004-6361:20030773 |
0.485 |
|
| 2003 |
Dils B, Elsamra RMI, Peeters J, Carl SA. Absolute rate coefficients of the reactions of CF2(ã 3B1) with NO and H2 between 287 K and 600 K Physical Chemistry Chemical Physics. 5: 5405-5408. DOI: 10.1039/B311847A |
0.333 |
|
| 2003 |
Carl SA, Sun Q, Teugels L, Peeters J. Experimental determination of the temperature dependence of the absolute rate coefficients of the HCCO + NO2 and HCCO + H2 reactions Physical Chemistry Chemical Physics. 5: 5424-5430. DOI: 10.1039/B311684K |
0.397 |
|
| 2003 |
Vereecken L, De Groof P, Peeters J. Temperature and pressure dependent product distribution of the addition of CN radicals to C2H4 Physical Chemistry Chemical Physics. 5: 5070-5076. DOI: 10.1039/B306803J |
0.406 |
|
| 2003 |
Vereecken L, Peeters J. Reactions of chemically activated C9H9 species II: The reaction of phenyl radicals with allene and cyclopropene, and of benzyl radicals with acetylene Physical Chemistry Chemical Physics. 5: 2807-2817. DOI: 10.1039/B303908K |
0.51 |
|
| 2003 |
Dils B, Carl SA, Peeters J. Absolute rate coefficient of the reaction of CF2(ã 3B1) with O2 between 288 and 600 K Physical Chemistry Chemical Physics. 5: 2376-2380. DOI: 10.1039/B302676K |
0.35 |
|
| 2003 |
Vandenberk S, Peeters J. The reaction of acetaldehyde and propionaldehyde with hydroxyl radicals: Experimental determination of the primary H2O yield at room temperature Journal of Photochemistry and Photobiology a: Chemistry. 157: 269-274. DOI: 10.1016/S1010-6030(03)00063-7 |
0.471 |
|
| 2002 |
Vereecken L, Peeters J, Bettinger HF, Kaiser RI, Schleyer Pv, Schaefer HF. Reaction of phenyl radicals with propyne. Journal of the American Chemical Society. 124: 2781-9. PMID 11890830 DOI: 10.1021/Ja017018+ |
0.435 |
|
| 2002 |
Peeters J, Ceursters B, Nguyen HMT, Nguyen MT. The reaction of C2H with H2: Absolute rate coefficient measurements and ab initio study Journal of Chemical Physics. 116: 3700-3709. DOI: 10.1063/1.1436481 |
0.43 |
|
| 2002 |
Hahndorf I, Lee YT, Kaiser RI, Vereecken L, Peeters J, Bettinger HF, Schreiner PR, Schleyer PVR, Allen WD, Schaefer HF. A combined crossed-beam, ab initio, and Rice-Ramsperger-Kassel-Marcus investigation of the reaction of carbon atoms C(3Pj) with benzene, C6H6(X1A1g) and d6-benzene, C6D6(X1A1g) Journal of Chemical Physics. 116: 3248-3262. DOI: 10.1063/1.1418744 |
0.38 |
|
| 2002 |
Fantechi G, Vereecken L, Peeters J. The OH-initiated atmospheric oxidation of pinonaldehyde: Detailed theoretical study and mechanism construction Physical Chemistry Chemical Physics. 4: 5795-5805. DOI: 10.1039/B205901K |
0.471 |
|
| 2002 |
Vereecken L, Bettinger HF, Peeters J. Reactions of chemically activated C9H9 species. Part I. The product distribution of the reaction of phenyl radicals with propynez Physical Chemistry Chemical Physics. 4: 2019-2027. DOI: 10.1039/B109452A |
0.469 |
|
| 2002 |
Vereecken L, Peeters J. Enhanced H-atom abstraction from pinonaldehyde, pinonic acid, pinic acid, and related compounds: Theoretical study of C-H bond strengths Physical Chemistry Chemical Physics. 4: 467-472. DOI: 10.1039/B109370C |
0.394 |
|
| 2002 |
Vandenberk S, Vereecken L, Peeters J. The acetic acid forming channel in the acetone + OH reaction: A combined experimental and theoretical investigation Physical Chemistry Chemical Physics. 4: 461-466. DOI: 10.1039/B108161F |
0.391 |
|
| 2002 |
Carl SA, Sun Q, Vereecken L, Peeters J. Absolute rate coefficient of the HCCO + NO reaction over the range T = 297-802 K Journal of Physical Chemistry A. 106: 12242-12247. DOI: 10.1021/Jp014135I |
0.394 |
|
| 2001 |
Carl SA, Sun Q, Peeters J. Laser-induced fluorescence of nascent CH from ultraviolet photodissociation of HCCO and the absolute rate coefficient of the HCCO+O2 reaction over the range T=296-839 K Journal of Chemical Physics. 114: 10332. DOI: 10.1063/1.1370079 |
0.415 |
|
| 2001 |
Peeters J, Vereecken L, Fantechi G. The detailed mechanism of the OH-initiated atmospheric oxidation of α-pinene: A theoretical study Physical Chemistry Chemical Physics. 3: 5489-5504. DOI: 10.1039/B106555F |
0.472 |
|
| 2001 |
Ceursters B, Nguyen HMT, Nguyen MT, Peeters J, Vereecken L. The reaction of C2H radicals with C2H6: Absolute rate coefficient measurements for T=295–800 K, and quantum chemical study of the molecular mechanism Physical Chemistry Chemical Physics. 3: 3070-3074. DOI: 10.1039/B103415B |
0.44 |
|
| 2001 |
Vereecken L, Sumathy R, Carl SA, Peeters J. NOx reduction by reburning: Theoretical study of the branching ratio of the HCCO+NO reaction Chemical Physics Letters. 344: 400-406. DOI: 10.1016/S0009-2614(01)00818-1 |
0.372 |
|
| 2001 |
Vereecken L, Peeters J. H-atom abstraction by OH-radicals from (biogenic) (poly)alkenes: C-H bond strengths and abstraction rates Chemical Physics Letters. 333: 162-168. DOI: 10.1016/S0009-2614(00)01347-6 |
0.381 |
|
| 2000 |
Sumathi R, Nguyen HMT, Nguyen MT, Peeters J. Electronic Structure Calculations on the Reaction of Vinyl Radical with Nitric Oxide The Journal of Physical Chemistry A. 104: 1905-1914. DOI: 10.1021/Jp993274L |
0.452 |
|
| 2000 |
Orlando JJ, Tyndall GS, Vereecken L, Peeters J. The Atmospheric Chemistry of the Acetonoxy Radical The Journal of Physical Chemistry A. 104: 11578-11588. DOI: 10.1021/Jp0026991 |
0.387 |
|
| 2000 |
Vereecken L, Peeters J. Theoretical study of the formation of acetone in the OH-initiated atmospheric oxidation of α-pinene Journal of Physical Chemistry A. 104: 11140-11146. DOI: 10.1021/Jp0025173 |
0.507 |
|
| 2000 |
Ceursters B, Minh Thi Nguyen H, Peeters J, Nguyen MT. Experimental and theoretical study of the reaction of the ethynyl radical with acetylene (HCC+HCCH) Chemical Physics. 262: 243-252. DOI: 10.1016/S0301-0104(00)00337-2 |
0.358 |
|
| 2000 |
Ceursters B, Thi Nguyen HM, Peeters J, Tho Nguyen M. Experimental and theoretical study of the gas phase reaction of ethynyl radical with methane (HCC+CH4) Chemical Physics Letters. 329: 412-420. DOI: 10.1016/S0009-2614(00)01033-2 |
0.437 |
|
| 1999 |
Vereecken L, Peeters J. Detailed Microvariational RRKM Master Equation Analysis of the Product Distribution of the C2H2+ CH(X2Π) Reaction over Extended Temperature and Pressure Ranges The Journal of Physical Chemistry A. 103: 5523-5533. DOI: 10.1021/Jp990720W |
0.388 |
|
| 1999 |
Vereecken L, Peeters J, Orlando JJ, Tyndall GS, Ferronato C. Decomposition of β-Hydroxypropoxy Radicals in the OH-Initiated Oxidation of Propene. A Theoretical and Experimental Study The Journal of Physical Chemistry A. 103: 4693-4702. DOI: 10.1021/Jp990046I |
0.411 |
|
| 1999 |
Vereecken L, Peeters J. Theoretical Investigation of the Role of Intramolecular Hydrogen Bonding in β-Hydroxyethoxy and β-Hydroxyethylperoxy Radicals in the Tropospheric Oxidation of Ethene The Journal of Physical Chemistry A. 103: 1768-1775. DOI: 10.1021/Jp9826930 |
0.41 |
|
| 1999 |
Peeters J, Vandenberk S, Piessens E, Pultau V. H-atom abstraction in reactions of cyclic polyalkenes with OH Chemosphere. 38: 1189-1195. DOI: 10.1016/S0045-6535(98)00505-0 |
0.404 |
|
| 1998 |
Vereecken L, Pierloot K, Peeters J. B3LYP-DFT characterization of the potential energy surface of the CH(X 2Π)+C2H2 reaction The Journal of Chemical Physics. 108: 1068-1080. DOI: 10.1063/1.475345 |
0.396 |
|
| 1998 |
Fantechi G, Jensen NR, Saastad O, Hjorth J, Peeters J. Journal of Atmospheric Chemistry. 31: 247-267. DOI: 10.1023/A:1006033910014 |
0.427 |
|
| 1998 |
Orlando JJ, Tyndall GS, Bilde M, Ferronato C, Wallington TJ, Vereecken L, Peeters J. Laboratory and Theoretical Study of the Oxy Radicals in the OH- and Cl-Initiated Oxidation of Ethene The Journal of Physical Chemistry A. 102: 8116-8123. DOI: 10.1021/Jp981937D |
0.495 |
|
| 1998 |
Fantechi G, Jensen N, Hjorth J, Peeters J. Mechanistic studies of the atmospheric oxidation of methyl butenol by OH radicals, ozone and NO3 radicals Atmospheric Environment. 32: 3547-3556. DOI: 10.1016/S1352-2310(98)00061-2 |
0.492 |
|
| 1998 |
Sumathi R, Peeters J, Nguyen MT. Theoretical studies on the C2H+O2 reaction: mechanism for HCO+CO, HCCO+O and CH+CO2 formation Chemical Physics Letters. 287: 109-118. DOI: 10.1016/S0009-2614(98)00148-1 |
0.47 |
|
| 1998 |
Sengupta D, Peeters J, Nguyen MT. Theoretical studies on C2H+NO reactions: mechanism for HCN+CO and HCO+CN formation Chemical Physics Letters. 283: 91-96. DOI: 10.1016/S0009-2614(97)01298-0 |
0.476 |
|
| 1998 |
Fantechi G, Jensen NR, Hjorth J, Peeters J. Determination of the rate constants for the gas-phase reactions of methyl butenol with OH radicals, ozone, NO3 radicals, and Cl atoms International Journal of Chemical Kinetics. 30: 589-594. DOI: 10.1002/(Sici)1097-4601(1998)30:8<589::Aid-Kin8>3.0.Co;2-O |
0.402 |
|
| 1997 |
Vereecken L, Huyberechts G, Peeters J. Stochastic simulation of chemically activated unimolecular reactions The Journal of Chemical Physics. 106: 6564-6573. DOI: 10.1063/1.473656 |
0.356 |
|
| 1997 |
Devriendt K, Peeters J. Direct Identification of the C2H(X2Σ+) + O(3P) → CH(A2Δ) + CO Reaction as the Source of the CH(A2Δ→X2Π) Chemiluminescence in C2H2/O/H Atomic Flames The Journal of Physical Chemistry A. 101: 2546-2551. DOI: 10.1021/Jp963434I |
0.374 |
|
| 1997 |
De Boelpaep I, Vetters B, Peeters J. Cycloaddition Reactions of CF with Unsaturated Hydrocarbons. Correlation of Activation Energies and Frequency Factors with the Hydrocarbon Ionization Energies The Journal of Physical Chemistry A. 101: 787-793. DOI: 10.1021/Jp9624616 |
0.356 |
|
| 1996 |
Peeters J, Van Look H, Ceursters B. Absolute Rate Coefficients of the Reactions of C2H with NO and H2between 295 and 440 K The Journal of Physical Chemistry. 100: 15124-15129. DOI: 10.1021/Jp960201I |
0.417 |
|
| 1996 |
Boullart W, Devriendt K, Borms R, Peeters J. Identification of the Sequence CH(2Π) + C2H2→ C3H2+ H (and C3H + H2) Followed by C3H2+ O → C2H + HCO (or H + CO) as C2H Source in C2H2/O/H Atomic Flames The Journal of Physical Chemistry. 100: 998-1007. DOI: 10.1021/Jp951995O |
0.35 |
|
| 1996 |
Nguyen MT, Sengupta D, Vereecken L, Peeters J, Vanquickenborne LG. Reaction of Isocyanic Acid and Hydrogen Atom (H + HNCO): Theoretical Characterization The Journal of Physical Chemistry. 100: 1615-1621. DOI: 10.1021/Jp9510507 |
0.408 |
|
| 1996 |
Devriendt K, Look HV, Ceursters B, Peeters J. Kinetics of formation of chemiluminescent CH(A2Δ) by the elementary reactions of C2H(X2 Σ+) with O(3P) and O2(X3Σg−): A pulse laser photolysis study Chemical Physics Letters. 261: 450-456. DOI: 10.1016/0009-2614(96)01023-8 |
0.402 |
|
| 1995 |
Van Look H, Peeters J. Rate Coefficients of the Reactions of C2H with O2, C2H2, and H2O between 295 and 450 K The Journal of Physical Chemistry. 99: 16284-16289. DOI: 10.1021/J100044A013 |
0.397 |
|
| 1995 |
Peeters J, Boullart W, Devriendt K. CH(a4.SIGMA.- and/or X2.PI.) Formation in the Reaction Between Ketenyl Radicals and Oxygen Atoms. Determination of the CH-yield between 405 and 960 K The Journal of Physical Chemistry. 99: 3583-3591. DOI: 10.1021/J100011A027 |
0.411 |
|
| 1994 |
Peeters J, Langhans I, Boullart W, Nguyen MT, Devriendt K. Formation of CH(a4.SIGMA.- and/or X2.PI.) in the Reaction of Ketenyl Radicals with Oxygen Atoms. Determination of the Methylidyne Yield at 290 K and ab Initio Calculations The Journal of Physical Chemistry. 98: 11988-11996. DOI: 10.1021/J100097A026 |
0.427 |
|
| 1994 |
Boullart W, Nguyen MT, Peeters J. Experimental Investigation of the Reaction between Nitric Oxide and Ketenyl Radicals (HCCO + NO): Rate Coefficient at T = 290-670 K and Product Distribution at 700 K The Journal of Physical Chemistry. 98: 8036-8043. DOI: 10.1021/J100084A020 |
0.419 |
|
| 1994 |
Nguyen MT, Boullart W, Peeters J. Theoretical Characterization of the Reaction between Nitric Oxide and Ketenyl Radicals (HCCO + NO): CO versus CO2 Loss The Journal of Physical Chemistry. 98: 8030-8035. DOI: 10.1021/J100084A019 |
0.419 |
|
| 1994 |
Van Hoeymissen J, De Boelpaep I, Uten W, Peeters J. Absolute Rate Constant Measurements of CF(X2II) Reactions. 2. Reactions with O, N, NO2, N2, N2O, F, and C3H4 The Journal of Physical Chemistry. 98: 3725-3731. DOI: 10.1021/J100065A030 |
0.386 |
|
| 1994 |
Peeters J, Boullart W, Langhans I. Branching ratio of the C2H2 + O reaction at 290 K from kinetic modelling of relative methylene concentration versus time profiles in C2H2/O/H systems International Journal of Chemical Kinetics. 26: 869-886. DOI: 10.1002/Kin.550260902 |
0.434 |
|
| 1992 |
Boullart W, Peeters J. Product distributions of the acetylene + atomic oxygen and HCCO (ketenyl) + atomic hydrogen reactions. Rate constant of methylene(.apprx.X3B1) + atomic hydrogen The Journal of Physical Chemistry. 96: 9810-9816. DOI: 10.1021/J100203A043 |
0.318 |
|
| 1992 |
Peeters J, Van Hoeymissen J, Vanhaelemeersch S, Vermeylen D. Absolute rate constant measurements of fluoromethylidyne (X2.PI.) reactions. 1. Reactions with oxygen, fluorine, chlorine and nitric oxide The Journal of Physical Chemistry. 96: 1257-1263. DOI: 10.1021/J100182A043 |
0.325 |
|
| 1991 |
Vanhaelemeersch S, Van Hoeymissen J, Vermeylen D, Peeters J. SiF2as a primary desorption product of Si etching by F atoms: Interpretation of laser‐induced fluorescence spectra; rate constant of the gas phase SiF2+F reaction Journal of Applied Physics. 70: 3892-3898. DOI: 10.1063/1.349197 |
0.346 |
|
| 1989 |
Peeters J, Vanhaelemeersch S, Van Hoeymissen J, Borms R, Vermeylen D. Spectroscopic observation of the methylene(~a1A1) radical in the reaction of acetylene with oxygen atoms The Journal of Physical Chemistry. 93: 3892-3894. DOI: 10.1021/J100347A007 |
0.412 |
|
| 1986 |
Peeters J, Schaekers M, Vinckier C. Ketenyl radical yield of the elementary reaction of ethyne with atomic oxygen at 290-540 K The Journal of Physical Chemistry. 90: 6552-6557. DOI: 10.1021/J100282A027 |
0.413 |
|
| 1985 |
Vinckier C, Schaekers M, Peeters J. The ketyl radical in the oxidation of ethyne by atomic oxygen at 300-600 K The Journal of Physical Chemistry. 89: 508-512. DOI: 10.1021/J100249A028 |
0.409 |
|
| 1982 |
Caymax M, Peeters J. The reaction of ethane with atomic oxygen at T=600-1030 K Symposium (International) On Combustion. 19: 51-59. DOI: 10.1016/S0082-0784(82)80177-X |
0.361 |
|
| 1977 |
Blauwens J, Smets B, Peeters J. Mechanism of "prompt" no formation in hydrocarbon flames Symposium (International) On Combustion. 16: 1055-1064. DOI: 10.1016/S0082-0784(77)80395-0 |
0.325 |
|
| 1975 |
Vandooren J, Peeters J, Tiggelen PJV. Rate constant of the elementary reaction of carbon monoxide with hydroxyl radical Symposium (International) On Combustion. 15: 745-753. DOI: 10.1016/S0082-0784(75)80343-2 |
0.328 |
|
| 1969 |
Peeters J, van Tiggelen A. Experimental determination of the rate of the chemi-ionization process Symposium (International) On Combustion. 12: 437-446. DOI: 10.1016/S0082-0784(69)80426-1 |
0.307 |
|
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