Comparative Study of Predicting Radical CH Functionalization Sites in Nitrogen Heteroarenes Using a Radical General-Purpose Reactivity Indicator and the Radical Fukui Function

von Barrera, Yoshio
Veröffentlicht in: Journal of computational chemistry (2025)

Does the radical GPRI strongly depend on the population scheme? A comparative study to predict radical attack on unsaturated molecules with the radical general-purpose reactivity i...

von Barrera, Yoshio
Veröffentlicht in: Journal of computational chemistry (2024)