Results 81 to 90 of about 7,558,016 (299)
Impact of Hydrogen Incorporation on Electronic and Magnetic Structure of X2CrNi18‐9 Stainless Steel
Advanced Engineering Materials, EarlyView.Hydrogen uptake in austenitic stainless steel alters both its electronic and magnetic structure. Seebeck measurements reveal hydrogen‐induced shifts in the electronic density of states, while neutron scattering uncovers nanoscale inhomogeneities that grow upon hydrogen incorporation, with the most pronounced effect observed in the PBF as‐built state ...
Torben Tappe +9 more
wiley +1 more source
Tautomeric Equilibria in Solutions of 2-Phenacylbenzimidazoles
Heteroatom Chemistry, 2019 Detailed NMR spectral analysis of DMSO-d6 solutions of the series of substituted 2-phenacylbenzimidazoles (ketimine form, K) reveals two from three tautomeric forms.
Agnieszka Skotnicka +2 more
doaj +1 more source
Intermolecular Interactions in Ionic Complexes
CHIMIA, 1999 Intermolecular interactions and microsolvation effects in isolated charged complexes are investigated by high-resolution infrared spectroscopy and quantum-chemical calculations.
Otto Dopfer
doaj +1 more source
Effective Resource Allocation in Parallel Quantum-Chemical Calculations [PDF]
, 2012 Key factors affecting the parallel efficiency of archetypical quantum-chemical calculations are discussed. Effective load balancing schemes are proposed.
Brela, Mateusz +2 more
core
Advanced Functional Materials, EarlyView.DNA strands are employed both as dynamic linkers and nanoscale templates for the integration of Ag2S nanoparticles on MoS2, which in turn imparted photothermal responsiveness; this feature permits the selective cargo (fluorophore, quantum dots or an enzyme) release from the MoS2 surface in response to local heat induced by light irradiation.
Kai Chen +3 more
wiley +1 more source
Theoretical study of the possibility of glycin with thiotriazoline complexes formation
Zaporožskij Medicinskij Žurnal, 2017 Brain strokes are widely spread all over the world and are among the most dangerous for the population. Often it leads to death, complete or partial loss of ability to work.
L. I. Kucherenko +3 more
doaj +1 more source
Advanced Functional Materials, EarlyView.In MOCVD MoS2 memristors, a current compliance‐regulated Ag filament mechanism is revealed. The filament ruptures spontaneously during volatile switching, while subsequent growth proceeds vertically through the MoS2 layers and then laterally along the van der Waals gaps during nonvolatile switching.
Yuan Fa +19 more
wiley +1 more source
The Representation of the Chemical Bond in Quantum Chemical Calculations
Croatica Chemica Acta, 1985 The mathematical representation of chemical bonds in molecules is discussed. The molecule is viewed as a system of weakly interacting chemical bonds. The intrabond problems and the averaged electrostatic interbond interactions are handled at the . zeroth order, while the small interbond delocalization and dispersion effects are taken into account on ...
openaire +3 more sources
Supramolecular Structure of Sulfonamide-Substituted Silatranes: Quantum Chemical DFT Calculations
The supramolecular structure of the crystal products–N-[2-chloro-2-(silatranyl)ethyl]-4-nitro-benzenesulfonamide 4d and N-chloro-N-[2-chloro-1-(silatran-1-yl-methyl)ethyl]benzene-sulfonamide 5a was established by X-ray diffraction analysis data ...
Elizaveta N. Oborina +6 more
core +1 more source
Advanced Functional Materials, EarlyView.Optoelectronic synaptic devices based on solution‐processed molecular telluride GST‐225 phase‐change inks are demonstrated for three‐factor learning. A global optical signal broadcast through a silicon waveguide induces non‐volatile conductance updates exclusively in locally electrically flagged memristors.
Kevin Portner +14 more
wiley +1 more source