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Theoretical calculations at the B3LYP-D3/aug-cc-pVTZ (aug-cc-pV(T+d)Z for sulfur) level were used to investigate the contribution of methyl hydrogen sulfate (MHS) to new particle formation with the common atmospheric aerosol nucleation precursors including water (H2O), ammonia (NH3), and dimethylamine (DMA). A typical characteristic feature of the MHS-containing complexes is the formation of six-...
Methane sulfonic acid (MSA) is present in substantial concentrations in the gas phase over oceans and coastal regions. We present an investigation into the contribution of MSA to new particle formation with the common atmospheric aerosol nucleation precursors including MSA, methanol, formic acid, acetone, dimethylether, formaldehyde, methyl formate, by making use a quantum chemical approach. Density...
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