Estimating the NH3:H2SO4ratio of nucleating clusters
نویسندگان
چکیده
Estimating the NH3:H2SO4ratio of nucleating clusters in atmospheric conditions using quantum chemical methods T. Kurtén, L. Torpo, M. R. Sundberg, V.-M. Kerminen, H. Vehkamäki, and M. Kulmala Division of Atmospheric Sciences, Department of Physical Sciences, P.O.Box 64, FI-00014 University of Helsinki, Finland Laboratory of Inorganic Chemistry, Department of Chemistry, P.O. Box 55, FI-00014 University of Helsinki, Finland Finnish Meteorological Institute, Air Quality Research, Sahaajankatu 20 E, FI-00880 Helsinki, Finland
منابع مشابه
Estimating the NH3:H2SO4ratio of nucleating clusters in atmospheric conditions using quantum chemical methods
We study the ammonia addition reactions of H2SO4·NH3 molecular clusters containing up to four ammonia and two sulfuric acid molecules using the ab initio method RI-MP2 (Resolution of Identity 2nd order MøllerPlesset perturbation theory). Together with results from previous studies, we use the computed values to estimate an upper limit for the ammonia content of small atmospheric clusters, witho...
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