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The role of computational chemistry in the science and measurements of the atmosphereThe 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.
Document ID
19790031011
Acquisition Source
Legacy CDMS
Document Type
Conference Proceedings
Authors
Phillips, D. H.
(NASA Langley Research Center Hampton, Va., United States)
Date Acquired
August 9, 2013
Publication Date
January 1, 1978
Subject Category
Geophysics
Meeting Information
Meeting: In: Joint Conference on Sensing of Environmental Pollutants
Location: New Orleans, LA
Start Date: November 6, 1977
End Date: November 11, 1977
Accession Number
79A15024
Distribution Limits
Public
Copyright
Other

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