Can topological indices be used to predict gas-phase rate coefficients of importance to tropospheric chemistry? Free radical abstraction reactions of alkanes
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[1] D. J. Mann,et al. Kinetics of Elementary Reactions in the Chain Chlorination of Cyclopropane , 2003 .
[2] R. Atkinson. Kinetics and Mechanisms of the Gas‐Phase Reactions of the NO3 Radical with Organic Compounds , 1991 .
[3] R. Atkinson. Comments on “predicting gas phase organic molecule reaction rates using linear free energy correlations. I. O(3P) and OH addition and abstraction reactions” , 1980 .
[4] A. Lewis,et al. Non-methane hydrocarbons in the Arctic boundary layer , 2002 .
[5] J. Tedder,et al. Free-radical substitution in aliphatic compounds. Part XIX. Chlorination of 2,2-dimethylhexane , 1970 .
[6] D. M. Rowley,et al. Kinetic and mechanistic studies of the reactions of cyclopentylperoxy and cyclohexylperoxy radicals with hydroperoxy radical , 1992 .
[7] I. Bey,et al. A modeling study of the nighttime radical chemistry in the lower continental troposphere: 2. Origin and evolution of HOx , 2001 .
[8] D. Dabdub,et al. Impact of chlorine emissions from sea-salt aerosol on coastal urban ozone. , 2003, Environmental science & technology.
[9] C. Pfrang,et al. Correlations for gas-phase reactions of NO3, OH and O3 with alkenes: an update , 2006 .
[10] H. Niki,et al. Rate constants for the gas‐phase reactions of Cl‐atoms with C2C8 alkanes at T = 296 ± 2 K , 1995 .
[11] N. Trinajstic. Chemical Graph Theory , 1992 .
[12] S. Aliwell,et al. Measurements of tropospheric NO3 at midlatitude , 1998 .
[13] J. Gaffney,et al. Predicting gas phase organic molecule reaction rates using linear free-energy correlations. I. O(3P) and OH addition and abstraction reactions , 1979 .
[14] Mark R. Wilson,et al. Use of a stopped-flow technique to measure the rate constants at room temperature for reactions between the nitrate radical and various organic species , 1991 .
[15] J. Stutz,et al. Vertical profiles of NO3, N2O5, O3, and NOx in the nocturnal boundary layer: 1. Observations during the Texas Air Quality Study 2000 , 2004 .
[16] R. Derwent. Reactive Hydrocarbons and Photochemical Air Pollution , 1999 .
[17] I. Bey,et al. A modeling study of the nighttime radical chemistry in the lower continental troposphere: 1. Development of a detailed chemical mechanism including nighttime chemistry , 2001 .
[18] H. Singh,et al. Atmospheric distribution and sources of nonmethane hydrocarbons , 1992 .
[19] M. Randic. Characterization of molecular branching , 1975 .
[20] Kyriakos G. Kambanis,et al. Absolute reaction rate of chlorine atoms with neopentane , 1995 .
[21] A. Balaban. Chemical applications of graph theory , 1976 .
[22] M. Jenkin,et al. The tropospheric degradation of volatile organic compounds: a protocol for mechanism development , 1997 .
[23] J. Stewart. Optimization of parameters for semiempirical methods II. Applications , 1989 .
[24] D. Grosjean,et al. Environmental persistence of organic compounds estimated from structure-reactivity and linear free-energy relationships. Unsaturated aliphatics , 1992 .
[25] Alexandru T Balaban,et al. Using variable and fixed topological indices for the prediction of reaction rate constants of volatile unsaturated hydrocarbons with OH radicals. , 2004, Molecules.
[26] A. Balaban. Highly discriminating distance-based topological index , 1982 .
[27] D. C. Mckean,et al. Individual CH bond strengths in simple organic compounds: effects of conformation and substitution , 1978 .
[29] K. Clemitshaw,et al. Ozone and other secondary photochemical pollutants: chemical processes governing their formation in the planetary boundary layer , 2000 .
[30] J. Knox,et al. Competitive chlorination reactions in the gas phase: hydrogen and C1—C5 saturated hydrocarbons , 1959 .
[31] Steven H. Bertz,et al. Branching in graphs and molecules , 1988, Discret. Appl. Math..
[32] P. Monks,et al. Correlations Between Rate Parameters and Molecular Properties , 1999 .
[33] C. N. Hewitt,et al. Reactive hydrocarbons in the atmosphere. , 1999 .
[34] S. M. Aschmann,et al. RATE CONSTANTS FOR THE GAS-PHASE REACTIONS OF ALKANES WITH CL ATOMS AT 296 2 K , 1995 .
[35] J. Burrows,et al. The nitrate radical: Physics, chemistry, and the atmosphere , 1991 .
[36] C. Percival,et al. Correlations between rate parameters and calculated molecular properties in the reactions of the hydroxyl radical with hydrofluorocarbons , 1995 .
[37] James G. Anderson,et al. A new approach to free-radical kinetics: radially and axially resolved high-pressure discharge flow with results for hydroxyl + (ethane, propane, n-butane, n-pentane) .fwdarw. products at 297 K , 1990 .
[38] J. Seinfeld. Global Atmospheric Chemistry of Reactive Hydrocarbons , 1999 .
[39] R. Atkinson. A structure-activity relationship for the estimation of rate constants for the gas-phase reactions of OH radicals with organic compounds , 1987 .
[40] S. Waygood,et al. Temperature dependence of reactions of the nitrate radical with alkanes , 1990 .
[41] J. Nriagu. Gaseous pollutants : characterization and cycling , 1992 .
[42] S. Paulson,et al. ON THE UNCERTAINTIES IN THE RATE COEFFICIENTS FOR OH REACTIONS WITH HYDROCARBONS, AND THE RATE COEFFICIENTS OF THE 1,3,5-TRIMETHYLBENZENE AND M-XYLENE REACTIONS WITH OH RADICALS IN THE GAS PHASE , 1998 .
[43] C. N. Hewitt,et al. A global model of natural volatile organic compound emissions , 1995 .
[44] Zeev B. Alfassi,et al. General aspects of the chemistry of radicals , 1999 .
[45] S. M. Aschmann,et al. Rate constants for the reactions of the NO3 radical with alkanes at 296 ± 2 K , 1995 .
[46] R. Atkinson. Kinetics of the gas-phase reactions of OH radicals with alkanes and cycloalkanes , 2003 .
[47] P. Brimblecombe,et al. Chemistry of Atmospheres. , 1986 .
[48] Roderic L. Jones,et al. The vertical distribution of NO3 in the atmospheric boundary layer , 1999 .
[49] G. Nickless,et al. The role of volatile organic compounds in the polluted urban atmosphere of Bristol , UK , 2003 .
[50] R. Atkinson,et al. Estimation of hydroxyl radical reaction rate constants for gas-phase organic compounds using a structure-reactivity relationship : an update , 1995 .