A comprehensive modeling study of iso-octane oxidation

HJ Curran, P Gaffuri, WJ Pitz, CK Westbrook - Combustion and flame, 2002 - Elsevier
A detailed chemical kinetic mechanism has been developed and used to study the oxidation
of iso-octane in a jet-stirred reactor, flow reactors, shock tubes and in a motored engine …

The C2H5 + O2 Reaction Mechanism:  High-Level ab Initio Characterizations

JC Rienstra-Kiracofe, WD Allen… - The Journal of Physical …, 2000 - ACS Publications
The C2H5•+ O2 reaction, central to ethane oxidation and thus of fundamental importance to
hydrocarbon combustion chemistry, has been examined in detail via highly sophisticated …

Atmospheric chemistry of small organic peroxy radicals

GS Tyndall, RA Cox, C Granier… - Journal of …, 2001 - Wiley Online Library
Global atmospheric models play a key role in international assessments of the human
impact on global climate and air pollution. To increase the accuracy and facilitate …

Unraveling the structure and chemical mechanisms of highly oxygenated intermediates in oxidation of organic compounds

Z Wang, DM Popolan-Vaida, B Chen… - Proceedings of the …, 2017 - National Acad Sciences
Decades of research on the autooxidation of organic compounds have provided
fundamental and practical insights into these processes; however, the structure of many key …

Chemical kinetics and photochemical data for use in stratospheric modeling evaluation Number 8

WB DeMore, MJ Molina, SP Sander, DM Golden… - 1987 - ntrs.nasa.gov
This is the eighth in a series of evaluated sets of rate constants and photochemical cross
sections compiled by the NASA Panel for Data Evaluation. The primary application of the …

Optical properties of defects in silica

L Skuja - Defects in SiO2 and related dielectrics: Science and …, 2000 - Springer
The optical properties of point defects are frequently the most important parameter in
applications of glassy silica. They are relatively easy to measure on standard …

Ab Initio Study of α-Chlorinated Ethyl Hydroperoxides CH3CH2OOH, CH3CHClOOH, and CH3CCl2OOH:  Conformational Analysis, Internal Rotation Barriers …

TH Lay, LN Krasnoperov, CA Venanzi… - The Journal of …, 1996 - ACS Publications
Ab initio calculations were performed on CH3CH2OOH, CH3CHClOOH, and CH3CCl2OOH
molecules using the Gaussian92 system of programs. Geometries of stable rotational …

Experimental measurements and kinetic modeling of CH4/O2 and CH4/C2H6/O2 conversion at high pressure

CL Rasmussen, JG Jakobsen… - International Journal of …, 2008 - Wiley Online Library
A detailed chemical kinetic model for homogeneous combustion of the light hydrocarbon
fuels CH4 and C2H6 in the intermediate temperature range roughly 500–1100 K, and …

Kinetics and Mechanisms of the Self-Reactions of CCl3O2 and CHCl2O2 Radicals and Their Reactions with HO2

V Catoire, R Lesclaux, WF Schneider… - The Journal of …, 1996 - ACS Publications
The kinetics and mechanism of the reactions CCl3O2+ CCl3O2→ 2CCl3O+ O2 (1),
CHCl2O2+ CHCl2O2→ 2CHCl2O+ O2 (2a), CHCl2O2+ CHCl2O2→ CHCl2OH+ CCl2O+ O2 …

HO2/OH and RO2/HO2 ratios during the Tropospheric OH Photochemistry Experiment: Measurement and theory

PS Stevens, JH Mather, WH Brune… - Journal of …, 1997 - Wiley Online Library
Ambient concentrations of the hydroxyl (OH), hydroperoxyl (HO2), and total peroxy (ΣRO2)
radicals were measured as part of the Tropospheric OH Photochemistry Experiment at Idaho …