TY - JOUR
T1 - Prediction of radiative forcing values for hydrofluoroethers using density functional theory methods
AU - Blowers, Paul
AU - Moline, Dena Marie
AU - Tetrault, Kyle Franklin
AU - Wheeler, R'nld Ruth
AU - Tuchawena, Shane Lee
PY - 2007/8/16
Y1 - 2007/8/16
N2 - In this work, we use computational chemistry at the B3LYP/6-31g* level of theory combined with Pinnock's cloudy sky instantaneous radiative transfer model to predict radiative forcing for hydrofluoroether compounds. We validate our predictive ability using the 27 values of cloudy sky radiative forcing reported in the literature before populating a database of 25 other hydrofluoroethers where no radiative forcing data is available. These additional compounds were selected because kinetic data are available for them and one could predict global warming potentials using the work reported here. Copynght 2007 by the American Geophysical Union.
AB - In this work, we use computational chemistry at the B3LYP/6-31g* level of theory combined with Pinnock's cloudy sky instantaneous radiative transfer model to predict radiative forcing for hydrofluoroether compounds. We validate our predictive ability using the 27 values of cloudy sky radiative forcing reported in the literature before populating a database of 25 other hydrofluoroethers where no radiative forcing data is available. These additional compounds were selected because kinetic data are available for them and one could predict global warming potentials using the work reported here. Copynght 2007 by the American Geophysical Union.
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U2 - 10.1029/2006JD008098
DO - 10.1029/2006JD008098
M3 - Article
AN - SCOPUS:35148871696
SN - 0148-0227
VL - 112
JO - Journal of Geophysical Research Atmospheres
JF - Journal of Geophysical Research Atmospheres
IS - 15
M1 - D15108
ER -