A simple topology-based model for predicting the activation barriers of reactive processes at 0 K
Leandro Ayarde Henríquez, Cristian Guerra, Mario Duque‐Noreña, Eduardo E. Chamorro · Physical Chemistry Chemical Physics · 2023
A fundamental correlation exists between the barrier of reactive processes and the structural stability concept, which can be cast into a model for predicting energy threshold in reactions involving organic and organometallic compounds.