Theoretical study on selectivity trends in (N-heterocyclic carbene)-Pd catalyzed heck reactions: exploring density functionals methods and models - Silva, Vitor Henrique Marques da; Batista, Ana Paula de Lima; Navarro, Oscar; Braga, Ataualpa Albert Carmo (Simpósio Brasileiro de Química Teórica/SBQT, 2017)