A concise review of computational studies of the carbon dioxide–epoxide copolymerization reactions
DJ Darensbourg, AD Yeung - Polymer Chemistry, 2014 - pubs.rsc.org
The production of polycarbonates from carbon dioxide and epoxides is an important route by
which CO2, a waste product with harmful environmental effects, is converted into useful …
which CO2, a waste product with harmful environmental effects, is converted into useful …
Insights into the mechanism of carbon dioxide and propylene oxide ring-opening copolymerization using a Co (III)/K (I) heterodinuclear catalyst
A combined computational and experimental investigation into the catalytic cycle of carbon
dioxide and propylene oxide ring-opening copolymerization is presented using a Co (III) K …
dioxide and propylene oxide ring-opening copolymerization is presented using a Co (III) K …
Methanol formation by catalytic hydrogenation of CO 2 on a nitrogen doped zinc oxide surface: an evaluative study on the mechanistic pathway by density functional …
R Shanmugam, A Thamaraichelvan, B Viswanathan - RSC advances, 2015 - pubs.rsc.org
An investigation of the nature of adsorption of H2O and CO2 on a nitrogen doped zinc oxide
cluster surface and the resultant reaction between them has been performed using hybrid …
cluster surface and the resultant reaction between them has been performed using hybrid …
Quantum mechanical study of the reaction of CO2 and ethylene oxide catalyzed by metal–salen complexes: effect of the metal center and the axial ligand
Y Santiago-Rodríguez, MC Curet-Arana - Reaction Kinetics, Mechanisms …, 2015 - Springer
Density functional theory calculations were used to evaluate the thermochemistry of
plausible elementary steps for the reaction of CO 2 with ethylene oxide catalyzed by metal …
plausible elementary steps for the reaction of CO 2 with ethylene oxide catalyzed by metal …