Publication Date:
2019-07-13
Description:
The role of computational chemistry in determining the stability, photochemistry, spectroscopic parameters, and parameters for estimating reaction rates of atmospheric constituents is discussed. Examples dealing with the photolysis cross sections of HOCl and (1 Delta g) O2 and with the stability of gaseous NH4Cl and asymmetric ClO3 are presented. It is concluded that computational chemistry can play an important role in the study of atmospheric constituents, particularly reactive and short-lived species which are difficult to investigate experimentally.
Keywords:
GEOPHYSICS
Type:
In: Joint Conference on Sensing of Environmental Pollutants; Nov 06, 1977 - Nov 11, 1977; New Orleans, LA
Format:
text
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