Semiempirical methods do Fukui functions: Unlocking a modeling framework for biosystems

Igor Barden Grillo, Gabriel Aires Urquiza-Carvalho, Elton José Ferreira Chaves, Gerd Bruno Rocha. Semiempirical methods do Fukui functions: Unlocking a modeling framework for biosystems. Journal of Computational Chemistry, 41(9):862-873, 2020. [doi]

Abstract

Abstract is missing.