Completely automated mechanism generation of detailed kinetic models is within reach in
the coming decade. The recent developments in this field of chemical reaction engineering …

The use of dithiolane-containing polymers to construct responsive and dynamic networks is
an attractive strategy in material design. Here, we provide a detailed mechanistic study on …

Wavelength‐controlled dynamic processes are mostly based on light‐triggered
isomerization or the cleavage/formation of molecular connections. Control over dynamic …

A new tool for the automatic generation of kinetic models called Genesys is presented. A
rule-based network generation methodology creates dedicated kinetic models based on the …

The accuracy of thermochemical prediction methods is strongly dependent on the size of the
set of training data. Group additivity is an interpretable modeling strategy that can be …

Developing detailed kinetic models for pyrolysis and combustion requires the availability of
accurate thermodynamic properties. As it is time-consuming to perform quantum chemical …

Accurate quantitative chemical kinetic models are useful in many applications, ranging from
design of chemical processes to building a consensus for international treaties (eg the …

A complete and consistent set of 60 Benson group additive values (GAVs) for oxygenate
molecules and 97 GAVs for oxygenate radicals is provided, which allow to describe their …

This study extends a previous publication on group additivity values (GAVs) for the elements
C, H, and O, to include the elements nitrogen, sulfur, and the halogens. The present state …

This perspective gives our views on general aspects and future directions of gas‐phase
atmospheric chemical kinetic mechanism development, emphasizing on the work needed …