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JOURNAL OF PHYSICAL CHEMISTRY A, ISSN 1089-5639, 07/2019, Volume 123, Issue 26, pp. 5446 - 5462
The reactions of the 1-propynyl radical (CH3CC; X(2)A(1)) with two C3H4 isomers, methylacetylene (H3CCCH; X(1)A(1)) and allene (H2CCCH2; X(1)A(1)), along with... 
MOLECULAR-BEAM | TITANS ATMOSPHERE | CYANO RADICALS | RATE COEFFICIENTS | CN(X SIGMA(+)) | CROSSED-BEAM REACTION | AB-INITIO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | INTERSTELLAR-MEDIUM | SINGLE COLLISION CONDITIONS | HYDROCARBON MOLECULES
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 02/2017, Volume 121, Issue 5, pp. 901 - 926
Journal Article
JOURNAL OF PHYSICAL CHEMISTRY A, ISSN 1089-5639, 03/2019, Volume 123, Issue 9, pp. 1720 - 1729
Potential energy surfaces for the allyl + phenyl and benzyl + vinyl barrierless radical association reactions have been studied at the... 
INDENE | BENZENE | ALLENE | RATE CONSTANTS | SOOT | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | RADICALS | BASIS-SET
Journal Article
JOURNAL OF PHYSICAL CHEMISTRY A, ISSN 1089-5639, 12/2019, Volume 123, Issue 49, pp. 10543 - 10555
The crossed molecular beam reactions of the methylidyne radical (CH; X-2 Pi) with propylene (CH3CHCH2; X(1)A') along with (partially) substituted reactants... 
MOLECULAR-BEAM | CARBON-ATOMS | CROSSED-BEAM REACTION | POLYCYCLIC AROMATIC-HYDROCARBONS | REACTION-MECHANISM | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | PRODUCT BRANCHING RATIOS | CHEMISTRY, PHYSICAL | SINGLE COLLISION CONDITIONS | VUV PHOTOIONIZATION | CHEMICAL-DYNAMICS | THERMAL-ISOMERIZATION
Journal Article
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, ISSN 1463-9076, 10/2019, Volume 21, Issue 40, pp. 22308 - 22319
The crossed molecular beam reactions of the 1-propynyl radical (CH3CC; X(2)A(1)) with ethylene (H2CCH2; X(1)A(1g)) and ethylene-d(4) (D2CCD2; X(1)A(1g)) were... 
MOLECULAR-BEAM | CARBON-ATOMS | CN(X SIGMA(+)) | LOW-TEMPERATURE FORMATION | CROSSED-BEAM REACTION | POLYCYCLIC AROMATIC-HYDROCARBONS | SOOT FORMATION | AB-INITIO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | C4H6 ISOMERS | CHEMISTRY, PHYSICAL | CHEMICAL-DYNAMICS
Journal Article
Nature Communications, ISSN 2041-1723, 12/2018, Volume 9, Issue 1, pp. 774 - 8
Journal Article
JOURNAL OF PHYSICAL CHEMISTRY A, ISSN 1089-5639, 05/2019, Volume 123, Issue 19, pp. 4104 - 4118
The crossed beams reactions of the 1-propynyl radical (CH3CC; X(2)A(1)) with 1,3-butadiene (CH2CHCHCH2; X(1)A(g)), 1,3-butadiene-d(6) (CD2CDCDCD2; X(1)A(g)),... 
BENZENE | CARBON | CROSSED-BEAM REACTION | D-BENZENE | POLYCYCLIC AROMATIC-HYDROCARBONS | ALLENE | AB-INITIO | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | CHEMICAL-DYNAMICS | BENZYL RADICALS | PHOTODISSOCIATION
Journal Article
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, ISSN 1463-9076, 06/2017, Volume 19, Issue 22, pp. 14543 - 14554
Two ground-state CH radical reactions with the C3H4 isomers allene and methylacetylene occurring along the C4H5 potential energy surface (PES) were studied to... 
C4H5 | CROSSED-BEAM | RATE CONSTANTS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY | ISOMERS | CHEMISTRY, PHYSICAL | ATOMS
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 06/2017, Volume 19, Issue 22, pp. 14543 - 14554
Two ground-state CH radical reactions with the C3H4 isomers allene and methylacetylene occurring along the C4H5 potential energy surface (PES) were studied to... 
Allene | Mathematical analysis | Activation | Reaction mechanisms | Deviation | Isomers | Radicals | Acetylene
Journal Article
SCIENTIFIC REPORTS, ISSN 2045-2322, 11/2019, Volume 9, Issue 1, pp. 1 - 11
The crossed molecular beams reactions of the 1-propynyl radical (CH3CC; X(2)A(1)) with benzene (C6H6; X(1)A(1g)) and D6-benzene (C6D6; X(1)A(1g)) were... 
SINGLE-COLLISION CONDITIONS | CN(X SIGMA(+)) | CROSSED-MOLECULAR-BEAM | POLYCYCLIC AROMATIC-HYDROCARBONS | PHENYL RADICALS | MULTIDISCIPLINARY SCIENCES | AB-INITIO | INTERSTELLAR-MEDIUM | GAS-PHASE SYNTHESIS | CHEMICAL-DYNAMICS | CH3CCH XA
Journal Article
ChemPhysChem, ISSN 1439-4235, 08/2019, Volume 20, Issue 15, pp. 1912 - 1917
Methyltriacetylene – the largest methylated polyacetylene detected in deep space – has been synthesized in the gas phase via the bimolecular reaction of the... 
methyltriacetylene | reaction dynamics | single-collision conditions | reaction intermediates | gas-phase chemistry | CUMULENES | SOOT FORMATION | THERMOCHEMISTRY | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | ENERGY DIFFERENCES | CHEMISTRY, PHYSICAL | DISUBSTITUTED ACETYLENES | MICROWAVE-SPECTRA | POLY-YNES | RADICALS | PYROLYSIS | Index Medicus
Journal Article
Proceedings of the Combustion Institute, ISSN 1540-7489, 2017, Volume 36, Issue 1, pp. 919 - 926
RRKM-Master Equation calculations have been performed to evaluate temperature- and pressure-dependent rate coefficients for acetylene addition reactions to the... 
Hydrogen-Abstraction-C2H2-Addition (HACA) | Naphthalene | Reaction mechanisms | PAH | Soot | Hydrogen-Abstraction-C | Addition (HACA) | MECHANISM | ACETYLENE | ENERGY & FUELS | POLYCYCLIC AROMATIC-HYDROCARBONS | SOOT FORMATION | PAH FORMATION | ENGINEERING, MECHANICAL | ALIPHATIC FUELS | ENGINEERING, CHEMICAL | PREMIXED FLAMES | THERMODYNAMICS | KINETICS | MASTER EQUATION | GROWTH | Combustion | Hydrogen | Benzene | Analysis
Journal Article
Journal of Physical Chemistry A, ISSN 1089-5639, 07/2015, Volume 119, Issue 28, pp. 7528 - 7547
To gain qualitative and quantitative understanding Of oxidation processes of large polycyclic aromatics, soot particles, and graphene edges, a theoretical... 
AIR-POLLUTION | NAPHTHYL RADICALS | POLYCYCLIC AROMATIC-HYDROCARBONS | POTENTIAL-ENERGY SURFACE | REACTION-MECHANISM | SOOT FORMATION | LAYER GROWTH | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | MONTE-CARLO-SIMULATION | CARBON CLUSTERS | THERMAL-DECOMPOSITION
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 03/2016, Volume 120, Issue 11, pp. 1800 - 1812
The mechanism of CH­(X2Π) reaction with propene has been studied with ab initio CCSD­(T)-F12/CBS//B3LYP/6-311G­(d,p) calculations of the C4H7 potential energy... 
HYDROGEN | C2H6 | HYDROCARBONS | DISSOCIATION | RATE CONSTANTS | MASTER EQUATION | INTERSTELLAR | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CORRELATION-ENERGY | METHYLIDYNE | ISOMERS | CHEMISTRY, PHYSICAL
Journal Article