A screening DFT study of the para-substituent effect on local hyper-softness in bis(phenoxy-imine) titanium complexes to get insights about their catalytic activity in ethylene polymerization

Autor: Nikitin, Sergey V., Sánchez-Márquez, Jesús, Oleynik, Ivan I., Oleynik, Irina, Bagryanskaya, Elena G.
Zdroj: In Molecular Catalysis May 2019 469:57-67
Databáze: ScienceDirect