Molecular clusters are ubiquitous constituents of the ambient atmosphere, that can grow into
larger sizes forming new aerosol particles. The formation and growth of small clusters into …

Aerosol particles are important for our global climate, but the mechanisms and especially the
relative importance of various vapors for new particles formation (NPF) remain uncertain …

It is an important topic in environmental sciences to understand the behavior and toxicology
of chemical pollutants. Quantum chemical methodologies have served as useful tools for …

Aerosol nanoclusters (AN), defined here as molecular aggregates suspended in a gas with
dimensions between 2 and 10 nm, are the link between substances that we think of as …

This work assesses the performance of DLPNO-CCSD (T0), DLPNO-MP2, and density
functional theory methods in calculating the binding energies of a representative test set of …

The molecular interactions between sulfuric acid (sa) and methylamine (ma) are
investigated using computational methods. The molecular structures and vibrational …

Collisions of molecules and clusters play a key role in determining the rate of atmospheric
new particle formation and growth. Traditionally the statistics of these collisions are taken …

Piperazine (PZ), a cyclic diamine, is one of 160 detected atmospheric amines and an
alternative solvent to the widely used monoethanolamine in post-combustion CO2 capture …

Particle nucleation is one of the main sources of atmospheric particulate matter by number,
with new particles having great relevance for human health and climate. Highly oxidized …

Malonic acid (MOA), one of the major dicarboxylic acids (DCAs) in aerosols, has been
identified experimentally and computationally to be a strong acid. However, its potential role …