Results 101 to 110 of about 1,006 (231)

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

Boric Acid Post‐Modified [Al]ZSM‐5 Zeolites: Properties, Acidity, and Ethanol/Ethene Conversion

open access: yesChemistry – A European Journal, EarlyView.
The modification of MFI zeolites with boric acid leads to the formation of framework boron, unstable surface species, and unbound deposits. Relevant BAS for catalysis and access to pores are strongly reduced. The boric acid is removed upon converting C1 or C2 alcohols and ethene. ABSTRACT The effect of boric acid post‐modification on [Al]ZSM‐5 zeolites
Zheng Li   +3 more
wiley   +1 more source

On the Role of Linker Fluorination in the Adsorption‐Induced Structural Response of CeIV‐Based Metal‐Organic Frameworks

open access: yesChemistry – A European Journal, EarlyView.
The effect of the degree of fluorination of the organic linker on the adsorption behavior of MIL‐140A(Ce) is systematically investigated with a combination of experimental techniques. Cooperative adsorption is switched off in less fluorinated frameworks, as a result of reduced steric hindrance around the adsorption sites.
Francesca Nerli   +11 more
wiley   +1 more source

Magnetic localization and manipulation of locking synchronous motors. [PDF]

open access: yesCommun Eng
Richter M   +5 more
europepmc   +1 more source

Formic Acid Stabilization on Supported Ionic Liquid Phases: Insights from Solid‐State NMR Spectroscopy

open access: yesChemistry – A European Journal, EarlyView.
Solid‐state NMR spectroscopy reveals insights into interactions between formic acid and molecularly‐modified silica surfaces. Our findings contribute to a mechanistic understanding of the stabilization of formic acid by ionic liquid structures, with significant implications for the formic acid production from CO2 hydrogenation and adaptive catalysis ...
Yufei Wu   +4 more
wiley   +1 more source

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