Prediction of radiative forcing values for hydrofluoroethers using density functional theory methods

Abstract

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.