Found 8 results
Filters: Author is Joshua W. Allen [Clear All Filters]
Reaction Mechanism Generator: Automatic construction of chemical kinetic mechanisms. Computer Physics Communications. 203:212–225.. 2016.
Concerted Development of Biofuel Production and Utilization: A Coordinated Investigation of Diisopropyl Ketone, a Prototypical Biofuel. Combustion & Flame. 161:711-724.. 2014.
A coordinated investigation of the combustion chemistry of diisopropyl ketone, a prototype for biofuels produced by endophytic fungi. Combustion and Flame. 161:711–724.. 2014.
Chemically activated formation of organic acids in reactions of the Criegee intermediate with aldehydes and ketones. Physical Chemistry Chemical Physics. 15:16841-16852.. 2013.
Full dimensional quantum rate coefficients and kinetic isotope effects from ring polymer molecular dynamics for a seven-atom reaction OH + CH4 CH3 + H2O. J. Chem. Phys.. 138:221103.. 2013.
RPMDrate: bimolecular chemical reaction rates from ring polymer molecular dynamics. Computer Physics Communications. 184:833-840.. 2013.
Automatic estimation of pressure-dependent rate coefficients. Phys. Chem. Chem. Phys.. 14:1131–1155.. 2012.
Reply to Comment on Automatic estimation of pressure-dependent rate coefficients (J.W. Allen, C. F. Goldsmith, and W. H. Green, Phys. Chem. Chem. Phys, 2012, 14, 1131-1155). Physical Chemistry Chemical Physics. 14:8434.. 2012.