Relevance. The lack of a reliable mathematical model suitable for predicting the yield and quality of products in catalytic cracking units, with an assessment of the environmental indicators of fuel fractions when changing the hydrocarbon composition ...
Galina Yu. Nazarova +3 more
doaj +1 more source
Chemical Simulation and Quantum Chemical Calculation of Lignin Model Compounds
The conformational preferences of the lignin guaiacyl structural unit were studied by several quantitative chemistry calculation methods using vanillin as a model compound. The potential energy surfaces of the vanillin molecule were scanned by the methods of HF and DFT to find the most stable conformation, as well as three local minimum conformations ...
Yiming Hu +4 more
openaire +3 more sources
The physical realization of artificial neurons is a critical challenge for energy‐efficient neuromorphic computing. This review presents a comprehensive analysis of the evolution of artificial neuron implementations from conventional CMOS to emerging post‐CMOS technologies.
Kannan Udaya Mohanan +4 more
wiley +1 more source
A defect‐engineered Ag/Gd2O3:Nb2O5/Pt rare earth composite oxide memristor enables stable multilevel reservoir states through pulse driven conductance modulation. Experimentally measured device responses are incorporated into a device aware reservoir computing framework for CIFAR‐100 image classification, highlighting the potential of rare earth ...
Hammad Ghazanfar +9 more
wiley +1 more source
Introduction to Topic of the Special Issue "Quantum-Chemical Modeling and Design of Chelate and Macrocyclic Metal Complexes 2.0" from Guest Editor. [PDF]
Mikhailov OV.
europepmc +1 more source
Physics‐Grounded Materials Artificial Intelligence for Reliable Materials Discovery
Physics‐Grounded Materials AI (PhysMat AI) integrates physical priors, descriptors, constraints, verification, and data infrastructure into a unified full‐stack framework, enabling reliable, interpretable, and autonomous AI‐driven materials discovery.
Yuhang Wang +3 more
wiley +1 more source
Electrically Induced Phase Transition and Synaptic Functionality in MoTe2/Graphene Memristors
An electrically induced reversible 2H ↔ 1T′ phase transition is demonstrated in a vertical Au/Ti/MoTe2/graphene memristor with a laterally contacted graphene electrode. Resistive switching proceeds through a compositionally invariant amorphous/2H ↔ amorphous/1T′ transformation, in which a self‐formed amorphous MoTe2 interfacial region is proposed to ...
Chien‐Hua Wang +7 more
wiley +1 more source
Article Establishment of the structure of hydrate-solvate complexes of iodine extracted from model aqueous solutions in the system I2 – NaCl – Н2О – tributylphosphate /isooctane [PDF]
The equilibrium parameters of the extraction of iodine from aqueous model solutions of various compositions have been determined and the infl uence of the background mineralization of the raffi nate has been revealed.
ponomareva, polina Александровна +1 more
doaj +1 more source
An Adaptive Inhibitory WSe2 Transistor for Retinomorphic In‐Sensor Image Processing
Conventional retinomorphic devices typically require deliberate gate‐bias tuning for each illumination condition. In this paper, we demonstrate an adaptive inhibitory WSe2 transistor that uses photo‐induced regime shift between the subthreshold and accumulation modes to achieve decision‐free, intensity‐adaptive image processing within a single pixel ...
Juhwan Baek +12 more
wiley +1 more source
Twelve-Nitrogen-Atom Cyclic Structure Stabilized by 3d-Element Atoms: Quantum Chemical Modeling. [PDF]
Mikhailov OV, Chachkov DV.
europepmc +1 more source

