Results 141 to 150 of about 15,945 (209)
Iron/phosphine-catalyzed reductive cross-coupling to construct quaternary carbon centers. [PDF]
Zhang Q +4 more
europepmc +1 more source
Abstract Compositionally complex transitional metal nitrides are an interesting class of ceramics with superior chemical, thermal, and mechanical stability, with a high potential in ultra‐high temperature applications and catalysis. The exceptionality in the properties may partly be explained as a consequence of their high configuration entropy ...
Dharma Teja Teppala +8 more
wiley +1 more source
Hydroxyquinoline-coordinated organometallic complex nanowire and nanosheet for the dielectric layer of capacitors. [PDF]
Khanmohammadi Chenab K +3 more
europepmc +1 more source
A new local hybrid functional, LH25nP, is reported, that uses a neural‐network local mixing function for the position‐dependence of exact‐exchange admixture trained with a human‐designed strong‐correlation factor. It thereby escapes the usual zero‐sum game between delocalization and static‐correlation errors.
Artur Wodyński, Martin Kaupp
wiley +1 more source
Reactions of Surface-Confined Terminal Alkynes Mediated by Diverse Regulation Strategies. [PDF]
Wu Y, Xu L, Li J, Zhang C.
europepmc +1 more source
AIMNet2‐NSE: A Transferable Reactive Neural Network Potential for Open‐Shell Chemistry
AIMNet2‐NSE enables accurate modeling of open‐shell radical chemistry through neural spin‐charge equilibration (NSE). This machine learning interatomic potential predicts radical reaction energies, barriers, and spin‐crossing events with near‐DFT accuracy while offering five orders of magnitude computational speedup, making high‐throughput exploration ...
Bhupalee Kalita +7 more
wiley +1 more source
Dynamic structural engineering of ferrocene-functionalized Ag<sub>20</sub> nanoclusters for enhanced CO<sub>2</sub> electroreduction performance. [PDF]
Zhu HY +7 more
europepmc +1 more source
Switchable Reactivities of Metalated Phosphasilenes Regulated by Reversible 1,2‐Metal Migration
We develop novel strategies for the facile synthesis of anionic phosphasilenes in the forms of both P‐metalation and Si‐metalation. The P‐metalated phosphasilene displays a pronounced π‐bond‐driven reactivity toward robust inert molecules, whereas the Si‐metalated analogue behaves as a silylene equivalent via a retro‐1,2‐silver migration.
Huaiyuan Zhu +6 more
wiley +1 more source
Oxidative Addition of Aryl Bromides at Palladium(I) to form Palladium(III) Complexes. [PDF]
Bouley BS +4 more
europepmc +1 more source

