Results 201 to 210 of about 81,426 (297)

Boosting C=O Bond Scissoring Over a Pyridinic Nitrogen‐Modified Cu–MoC Interface for High‐Efficiency CO2 Hydrogenation to CO

open access: yesCarbon Energy, EarlyView.
ABSTRACT Reverse water‐gas shift (RWGS) reaction‐aided sustainable CO2 conversion has emerged as one promising and effective approach for simultaneously mitigating climate change and solidifying energy security. Molybdenum carbide‐based catalysts demonstrate excellent selectivity for sustainably transforming CO2 into CO product, but harsh carburization
Haiquan Liao   +13 more
wiley   +1 more source

Supramolecular Host‐Guest Complexation Dynamics by Cost‐Efficient Electronic Structure Methods

open access: yesChemistry – A European Journal, EarlyView.
We present a cost‐effective multilevel workflow for the kinetic profiling of host–guest systems, illustrated with cucurbit[6]uril and alkylammonium cations. The method combines rapid docking and reaction path searches at the semi‐empirical level, with refinement of the results using modern density functional theory, accurately reproducing experiment ...
Thomas Gasevic   +6 more
wiley   +1 more source

Dual‐Mode Thio‐MacMillan Organocatalysts: Stereoselective Diels–Alder Reactions or Sacrificial Self‐Cyclization to N‐Bridged Bicyclic Lactams

open access: yesChemistry – A European Journal, EarlyView.
The study of the Diels–Alder reaction of cinnamaldehyde and cyclopentadiene, catalyzed by chiral imidazolidine‐4‐thiones, led to the discovery of a highly regio‐ and stereoselective Michael‐addition and consecutive ring closure. Here, the imidazolidine‐4‐thione not only catalytically activates cinnamaldehyde but also participates as the nucleophile to ...
Marian S. R. Ebeling   +5 more
wiley   +1 more source

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