Results 121 to 130 of about 1,860,621 (344)

Leveraging 3d‐4f Coordination: Molecular Quantum Spring‐Magnet Behavior in Axial Ni2Ln Complexes

open access: yesAngewandte Chemie International Edition, EarlyView.
We report heterotrimetallic Ni2Ln complexes mimicking exchange spring magnets at the molecular level. CASSCF calculations show collinear anisotropy axes, while µSQUID studies reveal slow relaxation and open hysteresis in Ni2Tb, Ni2Dy, and Ni2Ho. Ferromagnetic 3d–4f coupling and anisotropy alignment enhance bistability, offering promise for quantum, and
Zhaoyang Jing   +7 more
wiley   +1 more source

DFT‐Based Insights Into Elastic, Thermophysical, Electronic, and Optical Properties of Topological Insulators XTe5 (X = Zr, Hf)

open access: yesAdvanced Physics Research, EarlyView.
In this work, we present the first in‐depth investigation of elasto‐mechanical, thermophysical, and optical properties of these compounds. In particular, we analyzed the directional dependence of the elastic properties, explored the optical response for different photon polarization directions, and examined potential industrial applications of these ...
Syed Shovon Mahbub Mahin   +4 more
wiley   +1 more source

Regional Shopping Objectives in British Grocery Retail Transactions Using Segmented Topic Models

open access: yesApplied Stochastic Models in Business and Industry, EarlyView.
ABSTRACT Understanding the customer behaviours behind transactional data has high commercial value in the grocery retail industry. Customers generate millions of transactions every day, choosing and buying products to satisfy specific shopping needs.
Mariflor Vega Carrasco   +4 more
wiley   +1 more source

Decomposition of Regular Bipartite Graphs Into Hamiltonian Cycles (Paths) and S3

open access: yesJournal of Mathematics
Let G be either a complete bipartite graph with n (even) vertices in each partite or a complete bipartite graph with n (odd) vertices in each partite plus a 1‐factor.
null V. Nalini, null S. Jeevadoss
doaj   +1 more source

X‐Ray Photoelectron Spectroscopy as Useful Technique for the Quantification of Halogen and Chalcogen Bonding Interactions

open access: yesChemistryEurope, EarlyView.
Unprecedented application of X‐ray photoelectron spectroscopy (XPS) for quantifying halogen and chalcogen bond strengths. This pioneering work provides the first benchmark study and establishes strong correlations between XPS shifts (ΔBE) and interaction energies (ΔE), revealing XPS as an experimental measure for noncovalent bond quantification in ...
Sergi Burguera, Antonio Frontera
wiley   +1 more source

Advanced control of non‐isothermal axial dispersion tubular reactors with recycle‐induced state delay

open access: yesThe Canadian Journal of Chemical Engineering, EarlyView.
Abstract We develop a delay‐aware estimation and control framework for a non‐isothermal axial dispersion tubular reactor modelled as a coupled parabolic‐hyperbolic PDE system with recycle‐induced state delay. The infinite‐dimensional dynamics are preserved without spatial discretization by representing the delay as a transport PDE and adopting a late ...
Behrad Moadeli, Stevan Dubljevic
wiley   +1 more source

Properties of Bisdiazo Compounds and Their Derived Carbenes via Density Functional Theory

open access: yesChemPhysChem, EarlyView.
Density function theory (DFT) calculation at level of B3LYP‐(D3)BJ/6‐311G** reveals the fundamental electronic structure of substituted bisdiazo compounds as well as their derived carbene and biscarbene species at both ground and excited states. Extension to physisorption onto single‐layer graphene provides more insight of the surface behaviour of this
Xiaosong Liu, Mark Gerard Moloney
wiley   +1 more source

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