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The impact of organic species which are present in the Earth’s atmosphere on the burst of new particles is critically important for the understanding of the molecular nature of atmospheric nucleation phenomena. Amines have recently been proposed as possible stabilizers of binary pre-nucleation clusters. In order to advance the understanding of atmospheric(More)
The importance of pre-nucleation cluster stability as the key parameter controlling nucleation of atmospheric airborne ions is well-established. In this Article, large ternary ionic (HSO(4)(-))(H(2)SO(4))(m)(NH(3))(H(2)O)(n) clusters have been studied using Density Functional Theory (DFT) and composite ab initio methods. Twenty classes of clusters have been(More)
The role of the ion sign in the binary H2SO4-H2O nucleation remains unclear despite significant progress in both theory and instrumentation achieved within the last decade. In order to advance the understanding of ion nucleation phenomena, a quantum-chemical study of binary sulfuric acid-water ionic clusters nucleating in the atmosphere has been carried(More)
Atmospheric aerosols formed via nucleation in the Earth's atmosphere play an important role in the aerosol radiative forcing associated directly with global climate changes and public health. Although it is well-known that atmospheric aerosol particles contain organic species, the chemical nature of and physicochemical processes behind atmospheric(More)
Hydration directly affects the mobility, thermodynamic properties, lifetime and nucleation rates of atmospheric ions. In the present study, the role of ammonia on the formation of hydrogen bonded complexes of the common atmospheric hydrogensulfate (HSO(4) (-)) ion with water has been investigated using the Density Functional Theory (DFT). Our findings rule(More)
Amines, organic derivatives of NH3, are important common trace atmospheric species that can enhance new particle formation in the Earth’s atmosphere under favorable conditions. While methylamine (MA), dimethylamine (DMA) and trimethylamine (TMA) all efficiently enhance binary nucleation, MA may represent the lower limit of the enhancing effect of amines on(More)
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