Established and Emerging Computational Tools to Study Homogeneous Catalysis—From Quantum Mechanics to Machine Learning
Sign Up to like & getrecommendations! Published in 2020 at "Chem"
DOI: 10.1016/j.chempr.2020.07.008
Abstract: Summary Computational chemistry has emerged as a powerful tool to gain insight on the molecular details of complex catalytic mechanisms—to uncover novel catalysis concepts or assist in the rational design of catalytic reactivities. Here, we… read more here.
Keywords: chemistry; catalysis quantum; homogeneous catalysis; study homogeneous ... See more keywords
Homogeneous Catalysis and Heterogeneous Recycling: A Simple Zn(II) Catalyst for Green Fatty Acid Esterification
Sign Up to like & getrecommendations! Published in 2021 at "ACS Sustainable Chemistry & Engineering"
DOI: 10.1021/acssuschemeng.1c01140
Abstract: This work describes the use of simple zinc(II) salts (ZnCl2, ZnCO3, Zn(OAc)2, ZnO, Zn(ClO4)2, Zn(TfO)2, and Zn(BF4)2) as effective catalysts for the esterification of fatty acids with long-chain alcohols and simple polyols through a homogeneous… read more here.
Keywords: catalysis heterogeneous; recycling simple; catalysis; homogeneous catalysis ... See more keywords