Results 21 to 30 of about 21,363 (178)
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Xosé González Martínez
doaj +2 more sources
Supramolecular Host‐Guest Complexation Dynamics by Cost‐Efficient Electronic Structure Methods
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
Breaking the Mold: Electrophilic Hydrophosphanation Emerges
Electrophilic hydride attack on the olefin, instead of the classical nucleophilic addition by a phosphanido ligand, is unveiled in rhodium‐catalyzed olefin hydrophosphanation. This hydride‐driven pathway operates for both activated and inactivated olefins, with transition states characterized by elongated Rh─H bonds and nascent C─H bond formation ...
Víctor Varela‐Izquierdo +4 more
wiley +1 more source
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Alba Nogueira López
doaj +2 more sources
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Xosé González Martínez
doaj +2 more sources
Reporter chemistry controls the operational window of liquid‐phase SERS. Para‐substituted benzenethiols induce distinct AuNPs colloidal regimes, ranging from delayed but stable hotspot formation to rapid flocculation‐dominated signal decay. The balance between SERS‐active‐state formation and colloidal loss defines whether a reporter provides reliable ...
Irene Calderon Gonzalez +2 more
wiley +1 more source
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Xosé González Martínez
doaj +2 more sources
The electronic spin state of two Chichibabin radicals is investigated using 2‐dimensional hyperfine correlated Electron Nuclear Double Resonance. The protons (I=1/2) act as a reference for the electronic spin quantum number (S) via their hyperfine interactions.
Gabriel Moise +7 more
wiley +1 more source
ABSTRACT Public organisations often experience a discrepancy between improvements in technical efficiency and stakeholders' perceptions of integrity and performance. This study analyses the mechanisms that may underlie this efficiency–perception discrepancy in Spanish Defence Delegations during 2020–2023.
José Solana‐Ibáñez +1 more
wiley +1 more source
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Xosé González Martínez
doaj +2 more sources

