Chemical Reactions: A chemical reaction is a process where the substances 8unbdergo a change in their chemical composition. The substances that enter the reaction are called reactants that are then ...

Catalysis: They are essential in catalysis, particularly in processes like hydrogenation, hydroformylation, and polymerisation. For example, Ziegler-Natta catalysts, which are organometallic compounds ...

Polymers are candidate materials for a wide range of sustainability applications such as carbon capture and energy storage. However, computational polymer discovery lacks automated analysis of ...