Christopher Pope - Academia.edu (original) (raw)
Address: Santa Cruz, California, United States
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Papers by Christopher Pope
The Journal of Physical Chemistry, 1995
A group additivity method for strongly curved polycyclic aromatic hydrocarbons (PAH) containing f... more A group additivity method for strongly curved polycyclic aromatic hydrocarbons (PAH) containing five- and six-membered rings (PAH5/6) has been developed. The existing set of groups, those for PAH containing only six-membered rings (PAH6) and for flat PAH5/6, has been extended by addition of a new group, derived from known properties of the fullerene Cââ. The constituent groups for all the species in a recently-published merchanism for fullerenes Cââ and Cââ formation are given. Thermochemical properties, including standard entropies and heat capacities, for all species in the mechanism are estimated. Properties estimated from group additivity are compared with values obtained from MM3(92) for all ring-only stable species. The group additivity approach is shown to be limited in its treatment of ring strain and H-H repulsion, although the estimated properties gave sufficiently reliable results when used in preliminary kinetic modeling studies of fullerenes Cââ and Cââ formation. Semiempirical (MOPAC) calculations were performed for Cââ and Cââ and for all selected precursors, including those of C{sub 5v} symmetry, such as corannulene. All MM3(92) and MOPAC calculations presented include evaluations of standard entropies and heat capacities. 56 refs., 6 figs., 8 tabs.
Proceedings of the Combustion Institute, 2000
... EXPLORING OLD AND NEW BENZENE FORMATION PATHWAYS IN LOW-PRESSURE PREMIXED FLAMES OF ALIPHATIC... more ... EXPLORING OLD AND NEW BENZENE FORMATION PATHWAYS IN LOW-PRESSURE PREMIXED FLAMES OF ALIPHATIC FUELS CHRISTOPHER J. POPE and ... re-seen in .ames, due to the resonance-enhanced sta cent work have been provided by Westmoreland et bility ...
Symposium (International) on Combustion, 1994
Journal of Hazardous Materials, 2000
Aerosol Science and Technology, 1997
Environmental Progress & Sustainable Energy, 2010
The Journal of Physical Chemistry, 1995
A group additivity method for strongly curved polycyclic aromatic hydrocarbons (PAH) containing f... more A group additivity method for strongly curved polycyclic aromatic hydrocarbons (PAH) containing five- and six-membered rings (PAH5/6) has been developed. The existing set of groups, those for PAH containing only six-membered rings (PAH6) and for flat PAH5/6, has been extended by addition of a new group, derived from known properties of the fullerene Cââ. The constituent groups for all the species in a recently-published merchanism for fullerenes Cââ and Cââ formation are given. Thermochemical properties, including standard entropies and heat capacities, for all species in the mechanism are estimated. Properties estimated from group additivity are compared with values obtained from MM3(92) for all ring-only stable species. The group additivity approach is shown to be limited in its treatment of ring strain and H-H repulsion, although the estimated properties gave sufficiently reliable results when used in preliminary kinetic modeling studies of fullerenes Cââ and Cââ formation. Semiempirical (MOPAC) calculations were performed for Cââ and Cââ and for all selected precursors, including those of C{sub 5v} symmetry, such as corannulene. All MM3(92) and MOPAC calculations presented include evaluations of standard entropies and heat capacities. 56 refs., 6 figs., 8 tabs.
Proceedings of the Combustion Institute, 2000
... EXPLORING OLD AND NEW BENZENE FORMATION PATHWAYS IN LOW-PRESSURE PREMIXED FLAMES OF ALIPHATIC... more ... EXPLORING OLD AND NEW BENZENE FORMATION PATHWAYS IN LOW-PRESSURE PREMIXED FLAMES OF ALIPHATIC FUELS CHRISTOPHER J. POPE and ... re-seen in .ames, due to the resonance-enhanced sta cent work have been provided by Westmoreland et bility ...
Symposium (International) on Combustion, 1994
Journal of Hazardous Materials, 2000
Aerosol Science and Technology, 1997
Environmental Progress & Sustainable Energy, 2010