Plasma assisted combustion is a promising technology to improve engine performance,
increase lean burn flame stability, reduce emissions, and enhance low temperature fuel …

Exactly half a century has passed since the launch of the first documented research project
(1965 Dendral) on computer‐assisted organic synthesis. Many more programs were created …

Chemical recycling of plastic waste to base chemicals via pyrolysis and subsequent steam
cracking of pyrolysis oils shows great potential to overcome the limitations in present means …

Abstract Reaction Mechanism Generator (RMG) constructs kinetic models composed of
elementary chemical reaction steps using a general understanding of how molecules react …

Chemical compound space refers to the vast set of all possible chemical compounds,
estimated to contain 1060 molecules. While intractable as a whole, modern machine …

Alternative transportation fuels, preferably from renewable sources, include alcohols with up
to five or even more carbon atoms. They are considered promising because they can be …

The primary objective of the present endeavor is to collect, consolidate, and review the vast
amount of experimental data on the laminar flame speeds of hydrocarbon and oxygenated …

A detailed insight of key reactive events related to oxidation and pyrolysis of hydrocarbon
fuels further enhances our understanding of combustion chemistry. Though comprehensive …

The area of reaction mechanism discovery simulation has taken considerable strides in
recent years. Novel methods that make hypotheses for elementary steps and …

For the investigation of chemical reaction networks, the identification of all relevant
intermediates and elementary reactions is mandatory. Many algorithmic approaches exist …