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Physical Chemistry Chemical Physics, ISSN 1463-9076, 02/2015, Volume 17, Issue 7, pp. 4859 - 4863
The C1 Criegee intermediate, CH2OO, reaction with water vapour has been studied. The removal rate constant shows a quadratic dependence on [H2O], implying... 
ACID | SELF-REACTION | O-2 | KINETICS | ABSORPTION-SPECTRUM | SO2 | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY | OZONOLYSIS | CHEMISTRY, PHYSICAL | ATMOSPHERE
Journal Article
CHEMICAL PHYSICS LETTERS, ISSN 0009-2614, 09/2019, Volume 730, pp. 213 - 219
Reactions of fuel derived radicals, R, and oxygen, are of interest for low temperature combustion and autoignition. A method for measuring R + O-2 rate... 
YIELDS | EXPERIMENTAL MARKER | DIMETHYL ETHER OXIDATION | MECHANISM | KINETICS | RATE CONSTANTS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | RADICALS | CH3CO+O-2 | TEMPERATURE COMBUSTION | OH FORMATION
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 12/2018, Volume 122, Issue 50, pp. 9701 - 9711
Methyl tertiary butyl ether (MTBE) and trimethyl orthoformate (TMOF) are potential biofuel ethers and could replace conventional fossil fuels, or act as... 
OXIDATION | ATMOSPHERIC CHEMISTRY | HYDROXYL RADICALS | TRIMETHOXYMETHANE | MECHANISM | CHEMICAL-KINETICS | RATE CONSTANTS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DIMETHYL ETHER | CHEMISTRY, PHYSICAL | FUEL ADDITIVES | GAS-PHASE REACTIONS
Journal Article
SCIENCE, ISSN 0036-8075, 08/2012, Volume 337, Issue 6098, pp. 1066 - 1069
Bimolecular reactions in Earth's atmosphere are generally assumed to proceed between reactants whose internal quantum states are fully thermally relaxed. Here,... 
GASES | KINETICS | MULTIDISCIPLINARY SCIENCES | MASTER EQUATION | CHEMISTRY | RADICALS | REACTION DYNAMICS | CHLORINE ATOM | CHEMICAL-DYNAMICS | PHASE BIMOLECULAR REACTIONS
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 2018, Volume 20, Issue 13, pp. 8984 - 8990
Ab initio theory has been used to identify the pre-reaction complex in the atmospherically important reaction between OH + SO2, (R1), where the binding energy... 
PRESSURE | BORON | MODELS | CORRELATED MOLECULAR CALCULATIONS | TEMPERATURES | KINETICS | QUANTUM | MASTER EQUATION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | GAUSSIAN-BASIS SETS | Potential energy | Energy use | Kinetics | Theory | Rate theory | Reaction kinetics
Journal Article
JOURNAL OF PHYSICAL CHEMISTRY A, ISSN 1089-5639, 11/2019, Volume 123, Issue 47, pp. 10254 - 10262
QOOH radicals are key species in autoignition, produced by internal isomerizations of RO2 radicals, and are central to chain branching reactions in... 
OXIDATION | YIELDS | CHLORINE ATOMS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY | CHEMISTRY, PHYSICAL
Journal Article
JOURNAL OF PHYSICAL CHEMISTRY A, ISSN 1089-5639, 04/2010, Volume 114, Issue 14, pp. 4735 - 4741
The photolysis of acetylene at 193 nm has been investigated as a source of the ethynyl radical, C2H, for product branching ratio studies, particularly the... 
TITANS ATMOSPHERE | FUEL-RICH FLAMES | RATE COEFFICIENTS | METHYLACETYLENE | CN RADICALS | TEMPERATURE-DEPENDENCE | BRANCHING RATIOS | KINETICS | AB-INITIO | RATE CONSTANTS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL
Journal Article
Atmospheric Measurement Techniques, ISSN 1867-1381, 12/2013, Volume 6, Issue 12, pp. 3425 - 3440
Laboratory studies have revealed that alkenederived RO2 and longer chain alkane-derived RO2 (>C-3) radicals rapidly convert to HO2 and then to OH in the... 
MASTER CHEMICAL MECHANISM | ATMOSPHERIC CHEMISTRY | TROPOSPHERIC DEGRADATION | EXPERIMENT 1997 EASE97 | TROPICAL RAIN-FOREST | PRESSURE-DEPENDENCE | MCM V3 PART | METEOROLOGY & ATMOSPHERIC SCIENCES | MARINE BOUNDARY-LAYER | VOLATILE ORGANIC-COMPOUNDS | NORTH-WESTERN GREECE
Journal Article
ICARUS, ISSN 0019-1035, 03/2019, Volume 321, pp. 752 - 766
The kinetics of the reactions of the first excited state of methylene,(CH2)-C-1, with C2H2, C2H4, and C2H6, has been measured over the temperature range 43-298... 
H ATOM YIELDS | TITANS ATMOSPHERE | METHANE | KINETICS | ASTRONOMY & ASTROPHYSICS | RATE CONSTANTS | PHOTOCHEMISTRY | HAZE FORMATION | SINGLET METHYLENE REMOVAL | KETENE | RANGE
Journal Article
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, ISSN 1463-9076, 09/2018, Volume 20, Issue 34, pp. 22218 - 22227
Recent, direct studies have shown that several reactions of stabilized Criegee intermediates (SCI) are significantly faster than indicated by earlier indirect... 
CONFORMER-DEPENDENT REACTIVITY | WATER-VAPOR | SULFUR-DIOXIDE | RATE CONSTANTS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | GAS-PHASE | CHEMISTRY, PHYSICAL | RADICALS | CH2OO | ACETIC-ACID | MOLECULAR-OXYGEN
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 05/2017, Volume 121, Issue 17, pp. 3175 - 3183
The kinetics of the reaction OH/OD­(v = 1,2,3) + SO2 were studied using a photolysis/laser-induced fluorescence technique. The rate coefficients OH/OD­(v =... 
HIGH-PRESSURE | TEMPERATURE-DEPENDENCE | EMISSIONS | 3-DIMENSIONAL MODEL | MASTER EQUATION | CIS-CIS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | ENERGY-TRANSFER | VIBRATIONAL DEACTIVATION | SULFUR
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 05/2017, Volume 121, Issue 17, pp. 3184 - 3191
The kinetics of the reaction OH/OD + SO2 were studied using a laser flash photolysis/laser-induced fluorescence technique. Evidence for two-photon photolysis... 
NO2 | RATE COEFFICIENTS | HIGH-PRESSURE | TEMPERATURE-DEPENDENCE | MULTIPLE-WELL | MODELS | RATE CONSTANTS | SO2 | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | OH+SO2
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 2018, Volume 20, Issue 38, pp. 24940 - 24954
Decomposition kinetics of stabilised CH2OO and CD2OO Criegee intermediates have been investigated as a function of temperature (450-650 K) and pressure (2-350... 
RATE COEFFICIENTS | TEMPERATURE | CORRELATED MOLECULAR CALCULATIONS | ABSORPTION-SPECTRUM | MASTER EQUATION | SO2 | CH2I2 | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | OZONOLYSIS | CHEMISTRY | CHEMISTRY, PHYSICAL | GAUSSIAN-BASIS SETS | INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Journal Article
JOURNAL OF PHYSICAL CHEMISTRY A, ISSN 1089-5639, 08/2014, Volume 118, Issue 34, pp. 6773 - 6788
The methoxymethyl radical, CH3OCH2, is an important intermediate in the low temperature combustion of dimethyl ether. The kinetics and yields of OH from the... 
LOW-TEMPERATURE OXIDATION | UNIMOLECULAR DECOMPOSITION | COMBUSTION | DIMETHYL ETHER OXIDATION | O-2 | RATE CONSTANTS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | ALTERNATIVE FUEL | FLOW REACTORS | THERMAL-DECOMPOSITION | ATMOSPHERIC-PRESSURE
Journal Article
ICARUS, ISSN 0019-1035, 03/2018, Volume 303, pp. 10 - 21
Methylene, CH2, is one of the major photolysis products of methane by Lyman-alpha radiation and is involved in the photochemistry of the atmospheres of Titan... 
H ATOM YIELDS | METHANE PHOTOLYSIS | 295 K | VERY-LOW TEMPERATURES | METHYLENE | BRANCHING RATIOS | KINETICS | ASTRONOMY & ASTROPHYSICS | RATE CONSTANTS | OUTER SOLAR-SYSTEM | PHOTOCHEMISTRY
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 10/2015, Volume 17, Issue 38, pp. 25342 - 25353
The OH initiated gas-phase chemistry of several amines that are potential candidates for use in post-combustion carbon capture (PCCC) plants have been studied... 
Carcinogens | Amines | Computer simulation | Laser induced fluorescence | Ethyl alcohol | Emission | Mathematical models | Carbon capture and storage
Journal Article
Chemical Physics Letters, ISSN 0009-2614, 09/2016, Volume 661, pp. 58 - 64
Experimental studies have demonstrated the importance of non-thermal bimolecular association chemistry. Recently a fully reversible method for incorporating... 
Kinetics | Prior distribution | Multiple reaction master equation | Non-equilibrium | QUANTUM YIELDS | MECHANISM | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | DISTRIBUTIONS | PRESSURE | TEMPERATURE | RADICALS | PHOTOLYSIS | GLYOXAL
Journal Article
The Journal of Physical Chemistry Letters, ISSN 1948-7185, 04/2012, Volume 3, Issue 7, pp. 853 - 856
Monoethanol amine (H2NCH2CH2OH, MEA) has been proposed for large-scale use in carbon capture and storage. We present the first absolute, temperature-dependent... 
Atmospheric, Environmental and Green Chemistry | 2-AMINOETHANOL | MATERIALS SCIENCE, MULTIDISCIPLINARY | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | CH3NH2 | NANOSCIENCE & NANOTECHNOLOGY | POWER-PLANT | KINETICS | RATE CONSTANTS | GAS | ALIPHATIC-AMINES | ABSORPTION | PHOTOLYSIS | C2H5NH2
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 04/2011, Volume 115, Issue 15, pp. 3335 - 3345
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 09/2018, Volume 122, Issue 37, pp. 7239 - 7255
The reaction of the OH radical with isoprene, C5H8 (R1), has been studied over the temperature range 298–794 K and bath gas pressures of nitrogen from 50 to... 
RESOLVED MASS-SPECTROMETRY | TRANSITION-STATE MODEL | 3RD-ROW ATOMS | WAVE-FUNCTIONS | MOLECULAR-ORBITAL METHODS | RATE CONSTANTS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | INITIATED OXIDATION | NONCOVALENT INTERACTIONS | GAS-PHASE REACTIONS | GAUSSIAN-BASIS SETS
Journal Article
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