Results 111 to 120 of about 4,589 (305)
Chemistry – A European Journal, EarlyView.Machine‐learning potentials are increasingly taking on the exploratory tasks of homogeneous catalysis, enabling rapid conformer sampling and reaction‐space mapping. However, when selectivity depends on subtle electronic effects, electronic‐structure methods remain essential.
Maxime Ferrer +3 more
wiley +1 more source
On nonclassical impulsive ordinary differential equations with nonlocal conditions
International Journal of Analysis and Applications, 2019 Summary: Results on mild solutions of nonclassical differential equations with impulsive and nonlocal conditions are extended to a case when the nonlocal conditions are necessarily non Lipschitz and non compact.
Bishop, S.A. +2 more
openaire +4 more sources
ChemPhysChem, Volume 26, Issue 6, March 15, 2025.The ionization of anthracene, acridine, and phenazine has been explored, along with the removal of one and two hydrogen atoms, to provide valuable information for astrochemists and to understand the behavior of the resulting structures and their electronic reorganization. Abstract In this study, we systematically explored the stability and isomerism of
Khaldia Zghida +3 more
wiley +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
On the ω-limit set of a nonlocal differential equation proposed by M. Nagayama
, 2015 We study the ω-limit set of solutions of a nonlocal ordinary differential equation, where the nonlocal term is such that the space integral of the solution is conserved in time.
Nguyen, Thanh Nam
core
On Critical Behaviour in Systems of Hamiltonian Partial Differential Equations [PDF]
, 2015 We study the critical behaviour of solutions to weakly dispersive Hamiltonian systems considered as perturbations of elliptic and hyperbolic systems of hydrodynamic type with two components.
Klein, Christian +13 more
core +1 more source
EcoEnergy, EarlyView.A single‐atom iron catalyst with well‐defined Fe–N4 sites enables a tandem epoxidation‐hydrolysis process for converting terminal olefins to 1,2‐diols. The in situ‐generated isobutyric acid drives the hydrolysis step, affording broad substrate scope and excellent recyclability.
Tao‐Tao Liu +7 more
wiley +1 more source
, 2016 New results on existence and uniqueness of solution of impulsive quantum stochastic differential equation with nonlocal conditions are established. The nonlocal conditions are completely continuous.
Ayoola, E.O. +2 more
core +1 more source
On the stability of a fractional-order differential equation with nonlocal initial condition [PDF]
, 2008 The topic of fractional calculus (integration and differentiation of fractional-order), which concerns singular integral and integro-differential operators, is enjoying interest among mathematicians, physicists and engineers. In this work, we investigate
Abd El-Salam Sh. A. +5 more
core +1 more source
Toward Safer and Sustainable Lithium Metal Batteries: Fluorine‐Free Solid Polymer Electrolytes
ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.An analysis to assess the impact of fluorine in polymer electrolyte‐based lithium metal batteries has been conducted. It has been demonstrated that fluorine‐free LiTIM salt delivers a electrochemical performance similar to that of its fluorinated analogue salts, given the complete lithium dissociation in coordination with PEO and the restricted anion ...
David Fraile‐Insagurbe +10 more
wiley +1 more source