Machine learning for chemical reactions
M Meuwly - Chemical Reviews, 2021 - ACS Publications
Machine learning (ML) techniques applied to chemical reactions have a long history. The
present contribution discusses applications ranging from small molecule reaction dynamics …
present contribution discusses applications ranging from small molecule reaction dynamics …
Ubiquitous atmospheric production of organic acids mediated by cloud droplets
Atmospheric acidity is increasingly determined by carbon dioxide and organic acids,–.
Among the latter, formic acid facilitates the nucleation of cloud droplets and contributes to …
Among the latter, formic acid facilitates the nucleation of cloud droplets and contributes to …
Photophysical oxidation of HCHO produces HO2 radicals
BA Welsh, ME Corrigan, E Assaf, K Nauta… - Nature Chemistry, 2023 - nature.com
Formaldehyde, HCHO, is the highest-volume carbonyl in the atmosphere. It absorbs sunlight
at wavelengths shorter than 330 nm and photolyses to form H and HCO radicals, which then …
at wavelengths shorter than 330 nm and photolyses to form H and HCO radicals, which then …
Pickering emulsions stabilized by hemp protein nanoparticles: Tuning the emulsion characteristics by adjusting anti-solvent precipitation
Y Sun, X Chai, W Han, Z Farah, T Tian, YJ Xu, Y Liu - Food Hydrocolloids, 2023 - Elsevier
Hemp protein is an important dietary source rich in cannabinoid (CBD) and comprehensive
amino acids, but its application in food is limited due to its poor emulsibility and solubility. In …
amino acids, but its application in food is limited due to its poor emulsibility and solubility. In …
Photodissociation and photoionization of molecules of astronomical interest-Updates to the Leiden photodissociation and photoionization cross section database
HR Hrodmarsson, EF Van Dishoeck - Astronomy & Astrophysics, 2023 - aanda.org
Context. Vacuum-ultraviolet (VUV) photons are important drivers of chemical processes in
space. Thus, it is important to accurately characterize and constrain photorates in different …
space. Thus, it is important to accurately characterize and constrain photorates in different …
On the sources and sinks of atmospheric VOCs: an integrated analysis of recent aircraft campaigns over North America
We apply a high-resolution chemical transport model (GEOS-Chem CTM) with updated
treatment of volatile organic compounds (VOCs) and a comprehensive suite of airborne …
treatment of volatile organic compounds (VOCs) and a comprehensive suite of airborne …
Oxidation of volatile organic compounds as the major source of formic acid in a mixed forest canopy
Formic acid (HCOOH) is among the most abundant carboxylic acids in the atmosphere, but
its budget is poorly understood. We present eddy flux, vertical gradient, and soil chamber …
its budget is poorly understood. We present eddy flux, vertical gradient, and soil chamber …
Photochemical ageing of aerosols contributes significantly to the production of atmospheric formic acid
Formic acid (HCOOH) is one of the most abundant organic acids in the atmosphere and
affects atmospheric acidity and aqueous chemistry. However, the HCOOH sources are not …
affects atmospheric acidity and aqueous chemistry. However, the HCOOH sources are not …
Emerging investigator series: aqueous oxidation of isoprene-derived organic aerosol species as a source of atmospheric formic and acetic acids
Atmospheric chemistry models generally assume organic aerosol (OA) to be
photochemically inert. Recent mechanisms for the oxidation of biogenic isoprene, a major …
photochemically inert. Recent mechanisms for the oxidation of biogenic isoprene, a major …
Can isoprene oxidation explain high concentrations of atmospheric formic and acetic acid over forests?
Formic and acetic acid concentrations are particularly high over forested areas of the world.
However, the gas-phase mechanisms for producing these acids are poorly understood even …
However, the gas-phase mechanisms for producing these acids are poorly understood even …