Results 191 to 200 of about 53,196 (246)

Multiple Dimerization Modes in Thiocarboxylate Paddlewheel Complexes: A Comprehensive View of Energy Landscapes from DFT Calculations and Statistics

open access: yesChemistry – A European Journal, EarlyView.
Staggered, square, and heavily bent dimers occur in the five known solvatomorphs of paddlewheel (PW) complex [PtVO(SOCPh)4]. These and other structural motifs are well within energetic reach due to the shallow potential energy surface that guides dimerization and are included in a revised classification of available structural data on heterobimetallic ...
Olga Mironova   +3 more
wiley   +1 more source

Scaling HPC Education [PDF]

open access: diamond
Susan Mehringer   +7 more
openalex   +1 more source

Regio‐ and Diastereoselective C–C Silylation of Cyclopropyl Acetates Harnessing Fluorinated Poly(pyridyl)Borate Rhodium Catalysts

open access: yesChemistry – A European Journal, EarlyView.
Fluorinated poly(pyridyl)borates have been utilized to stabilize rhodium‐diene complexes and as supporting ligands in rhodium‐catalyzed redox‐neutral C–C silylation of cyclopropyl acetates, producing silicon‐containing heterocyclic products, dioxasilolanes.
Vo Quang Huy Phan   +3 more
wiley   +1 more source

Synergetic Effect of Fullerene and Fullerenol/Carbon Nanotubes in Cellulose-Based Composites for Electromechanical and Thermoresistive Applications. [PDF]

open access: yesPolymers (Basel)
Martín-Ayerdi A   +8 more
europepmc   +1 more source

When Dihedral Angles Mask Denticity in Molecular Conductance

open access: yesChemPhysChem, EarlyView.
This study tests whether higher molecule–electrode denticity increases conductance in single‐molecule junctions. Using nonequilibrium Green's function technique in conjunction with density functional theory simulations and mechanically controlled break‐junction experiments on a tetradentate N‐heterohexacene, it is found that conductance depends mainly ...
Kevin Batzinger   +8 more
wiley   +1 more source

Nanoparticles in microdroplets: Recent advances in microfluidic generators for producing functional microbeads

open access: yesDroplet, EarlyView.
Functional hybrid microbeads with electrical, magnetic, and/or optical responsiveness have emerged as versatile platforms for biotechnology. This review highlights recent advances in microfluidic technologies for producing such microbeads, with a focus on incorporating functional nanoparticles in microdroplet systems.
  Bayinqiaoge   +2 more
wiley   +1 more source

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