Machine learning (ML) techniques applied to chemical reactions have a long history. The
present contribution discusses applications ranging from small molecule reaction dynamics …

It is hard to overstate the importance of oxygenated organic compounds in atmospheric
chemistry. Oxygenated organic compounds are emitted into the atmosphere from natural …

Formic acid (HCOOH) is one of the most abundant acids in the atmosphere, with an
important influence on precipitation chemistry and acidity. Here we employ a chemical …

We present a detailed budget of formic and acetic acids, two of the most abundant trace
gases in the atmosphere. Our bottom-up estimate of the global source of formic and acetic …

We present new reaction pathways relevant to low-temperature oxidation in gaseous and
condensed phases. The new pathways originate from γ-ketohydroperoxides (KHP), which …

Bioethanol is currently a significant gasoline additive and the major blend component of flex-
fuel formulations. Ethanol is a high-octane fuel component, and vehicles designed to take …

Current atmospheric models underestimate the production of organic acids in the
troposphere. We report a detailed kinetic model of the photochemistry of acetaldehyde …

Carboxylic acids are the products of incomplete combustion and of the atmospheric
oxidation of biogenic and anthropogenic volatile organic compounds (VOCs). As such …

Organic acids play a key role in the troposphere, contributing to atmospheric aqueous-
phase chemistry, aerosol formation, and precipitation acidity. Atmospheric models currently …

Intramolecular catalysis (IntraCat) is the acceleration of a process at one site of a molecule
catalyzed by a functional group in the same molecule; an external agent such as a solvent …