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 …

The acidity of atmospheric particles and clouds

HOT Pye, A Nenes, B Alexander, AP Ault… - Atmospheric …, 2020 - acp.copernicus.org
Acidity, defined as pH, is a central component of aqueous chemistry. In the atmosphere, the
acidity of condensed phases (aerosol particles, cloud water, and fog droplets) governs the …

Ubiquitous atmospheric production of organic acids mediated by cloud droplets

B Franco, T Blumenstock, C Cho, L Clarisse… - Nature, 2021 - nature.com
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 …

Global estimates of inorganic nitrogen deposition across four decades

D Ackerman, DB Millet, X Chen - Global Biogeochemical …, 2019 - Wiley Online Library
Atmospheric deposition of inorganic nitrogen is critical to the function of ecosystems and
elemental cycles. During the industrial period, humans have doubled the amount of …

A new model mechanism for atmospheric oxidation of isoprene: global effects on oxidants, nitrogen oxides, organic products, and secondary organic aerosol

KH Bates, DJ Jacob - Atmospheric Chemistry and Physics, 2019 - acp.copernicus.org
Atmospheric oxidation of isoprene, the most abundantly emitted non-methane hydrocarbon,
affects the abundances of ozone (O 3), the hydroxyl radical (OH), nitrogen oxide radicals …

Criegee intermediates and their impacts on the troposphere

MAH Khan, CJ Percival, RL Caravan… - … Science: Processes & …, 2018 - pubs.rsc.org
Criegee intermediates (CIs), carbonyl oxides formed in ozonolysis of alkenes, play key roles
in the troposphere. The decomposition of CIs can be a significant source of OH to the …

Description of the NASA GEOS composition forecast modeling system GEOS‐CF v1. 0

CA Keller, KE Knowland, BN Duncan… - Journal of Advances …, 2021 - Wiley Online Library
Abstract The Goddard Earth Observing System composition forecast (GEOS‐CF) system is a
high‐resolution (0.25°) global constituent prediction system from NASA's Global Modeling …

Sources, seasonality, and trends of southeast US aerosol: an integrated analysis of surface, aircraft, and satellite observations with the GEOS-Chem chemical …

PS Kim, DJ Jacob, JA Fisher, K Travis… - Atmospheric …, 2015 - acp.copernicus.org
We use an ensemble of surface (EPA CSN, IMPROVE, SEARCH, AERONET), aircraft (SEAC
4 RS), and satellite (MODIS, MISR) observations over the southeast US during the summer …

Unimolecular decay strongly limits the atmospheric impact of Criegee intermediates

L Vereecken, A Novelli, D Taraborrelli - Physical Chemistry Chemical …, 2017 - pubs.rsc.org
Stabilized Criegee intermediates (SCI) are reactive oxygenated species formed in the
ozonolysis of hydrocarbons. Their chemistry could influence the oxidative capacity of the …

[HTML][HTML] A review of indoor gaseous organic compounds and human chemical exposure: insights from real-time measurements

B You, W Zhou, J Li, Z Li, Y Sun - Environment International, 2022 - Elsevier
Gaseous organic compounds, mainly volatile organic compounds (VOCs), have become a
wide concern in various indoor environments where we spend the majority of our daily time …