Results 71 to 80 of about 2,491,107 (193)
Chemistry – A European Journal, EarlyView.We present a machine‐learning framework that predicts the electron localization function (ELF) of dense hydrogen directly from atomic geometry, bypassing explicit electronic‐structure calculations. Trained on ab initio data for fluid hydrogen across multiple pressures, the model achieves high accuracy and reveals pressure‐dependent nonlocal ...
Xiaoyu Wang +5 more
wiley +1 more source
Chemistry – A European Journal, EarlyView.Newly developed polymers with intrinsic microporosity (PIMs) were combined with benzo[c][1,2,5]thiadiazole (BTZ) to be used as visible light photocatalytic coatings on the Vortex Fluidic Device (VFD). The VFD's rapid rotation and continuous flow capabilities enhanced singlet oxygen and superoxide radical reactions, achieving a dramatic eightfold ...
Leonardo Amicosante +9 more
wiley +1 more source
Chemistry – A European Journal, EarlyView.ESM‐RISM is applied to model electrochemical interfaces and benchmarked against Poisson–Boltzmann and molecular dynamics results. Density profiles, differential capacitance, and adsorption energetics at the gold–electrolyte interface are analyzed, highlighting the capabilities of this implicit electrolyte framework.
Alessandro Mangiameli +1 more
wiley +1 more source
Point force in a plane in the context of fractional nonlocal elasticity
Archives of MechanicsSolutions to the point load problems for elastic solids have different applications in geomechanics, contact mechanics, tribology as well as in modeling of lattice defects in crystals.
Y. Povstenko, T. Kyrylych, A. Yatsko
doaj +1 more source
Spectral properties of non-local uniformly-elliptic operators [PDF]
, 2006 In this paper we consider the spectral properties of a class of non-local uniformly elliptic operators, which arise from the study of non-local uniformly elliptic partial differential equations. Such equations arise naturally in the study of a variety of
Niall Dodds +3 more
core
Chemistry – A European Journal, EarlyView.The energy level diagrams for the ν(C═O) and the δ(N─H) vibrations, resulting of combining in‐phase and out‐of‐phase modes on the basis of their local symmetries, was built by applying the exciton coupling theory to a new class of chiral macrocycles, based on the 2,5‐diaminoterephthalate scaffold.
Samara Medina +4 more
wiley +1 more source
A note on the nonlocal boundary value problem for a third order partial differential equation
, 2020 The nonlocal boundary-value problem for a third order partial differential equation in a Hilbert space with a self-adjoint positive definite operator is considered.
Ashyralyev A. +2 more
core +2 more sources
Nonlinear Analysis, 2017 In this work, Lie symmetry analysis (LSA) for the time fractional modified Zakharov–Kuznetsov (mZK) equation with Riemann–Liouville (RL) derivative is analyzed.
Dumitru Baleanu +3 more
doaj +1 more source
Nitrogen‐Site Isomerism Unlocks Exciton Dissociation in Vinylene‐Linked COF‐Based Photocatalysts
EcoEnergy, EarlyView.Two regioisomeric vinylene‐linked covalent organic frameworks (COFs) constructed from diazine units with different nitrogen positions are developed for photocatalytic hydrogen evolution reaction (HER). Although structurally similar, the isomeric COFs exhibit distinct electron distribution and charge‐separation behaviors, leading to a more than twofold ...
Ming Wang +10 more
wiley +1 more source
Complexity, 2020 Exact periodic and localized solutions of a nonlocal Mel′nikov equation are derived by the Hirota bilinear method. Many conventional nonlocal operators involve integration over a spatial or temporal domain.
Wei Liu +3 more
doaj +1 more source