Molecular design of ionic liquids as novel nonmetallic catalysts used in acetylene hydrochlorination reaction

Phys. Chem. Chem. Phys., 2019, Accepted Manuscript DOI: 10.1039/C9CP01151J, PaperYao Nian, Jinli Zhang, Xiaoyan Li, Yan Wang, Wei Li, Pewee Datoo Kolubah, You Han Theoretical prediction of catalytic performance is crucial to the rational design of novel catalysts. In this work, the density functional theory (DFT) simulations have been carried out to predict the... The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Phys. Chem. Chem. Phys. latest articles - March 13, 2019 Category: Chemistry Authors: Yao Nian Source Type: research