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The ABC of Generalized Coordination Numbers and Their Use as a Descriptor in Electrocatalysis
(Wiley, 2023-07)
The quest for enhanced electrocatalysts can be boosted by descriptor-based analyses. Because adsorption energies are the most common descriptors, electrocatalyst design is largely based on brute-force routines that comb ...
Surface models of influenza virus envelope:Biophysical studies under various hydration scenarios.
(2022-04-01)
Water, the most abundant molecule in our planet, is truly and empirically accepted as an essential component to sustain life on Earth. The extraordinary properties of this unique and universal "matrix of life" have served ...
Early-stage detection of membrane fouling
(2022-04-19)
Actualmente la producción de agua potable mediante la desalinización por membranas es un proceso eficiente pero que sufre una fuerte limitación: el ensuciamiento o ¿fouling¿ de membranas. La industria no puede detectar ...
Efficient and selective organocatalytic depolymerisation under milder conditions
(2023-12-14)
La enorme producción global de plásticos está generando un problema medioambiental debido al gran número de desechos que se producen. Actualmente, se está realizando un gran esfuerzo por reciclar los plásticos, pero los ...
Microscopic Evidence for the Topological Transition in Model Vitrimers
(ACS, 2023-11)
In addition to the glass transition, vitrimers undergo a topological transition from viscoelastic liquid to viscoelastic solid behavior when the network rearrangements facilitated by dynamic bond exchange reactions freeze. ...
Structure of Single-Chain Nanoparticles under Crowding Conditions: A Random Phase Approximation Approach
(ACS, 2023-11)
The conformation of poly(methyl methacrylate) (PMMA)-based single-chain nanoparticles (SCNPs) and their corresponding linear precursors in the presence of deuterated linear PMMA in deuterated dimethylformamide (DMF) solutions ...
Fluorescence Amplification of Unsaturated Oxazolones Using Palladium: Photophysical and Computational Studies
(ACS, 2023)
Weakly fluorescent (Z)-4-arylidene-5-(4H)-oxazolones (1), ΦPL < 0.1%, containing a variety of conjugated aromatic fragments and/or charged arylidene moieties, have been orthopalladated by reaction with Pd(OAc)2. The resulting ...