Results 91 to 100 of about 51,657 (240)

Boosting Electron‐Hole Charge Separation in CO2 Photoreduction through Fluoroporphyrin‐Linked Nickel(II)‐Acetylide Frameworks

open access: yesCarbon Energy, EarlyView.
A NiII‐acetylide framework, H2TFPP‐Ni‐AF, demonstrates outstanding photocatalytic CO2 reduction performance: 13.16 mmol h−1 g−1 of CO with 97.9% selectivity. Synergistic interactions, including d‐p orbital hybridization within NiII‐bis(acetylide) moieties ( − C ≡ C−NiII(PBu3)2 − C ≡ C − ) and the efficient charge transport afforded by π‐conjugated ...
Lifen Chen   +6 more
wiley   +1 more source

Sturm‐Liouville problem for stationary differential operator with nonlocal integral boundary condition

open access: yesMathematical Modelling and Analysis, 2005
The Sturm‐Liouville problem with various types of nonlocal integral boundary conditions is considered in this paper. In the first part of paper we investigate Sturm‐Liouville problem with two cases of nonlocal integral boundary conditions.
S. Pečiulyte   +2 more
doaj   +1 more source

On the Reaction Mechanism of Nitrate Radical and DMPO in Non‐aqueous Photocatalytic Media

open access: yesChemistry – A European Journal, EarlyView.
This work identifies 2‐oxo‐5,5‐dimethyl‐1‐pyrroline 1‐oxyl (DMPOX), formed via the selective oxidation of 5,5‐dimethyl‐1‐pyrroline N‐oxide (DMPO) by nitrate radicals (NO3•) in nonaqueous media, as a distinctive EPR fingerprint of NO3•. The DFT‐supported mechanism clarifies its formation pathway and highlights DMPOX detection as a robust tool for ...
Alessandro Gottuso   +4 more
wiley   +1 more source

FDM for Elliptic Equations with Bitsadze-Samarskii-Dirichlet Conditions

open access: yesAbstract and Applied Analysis, 2012
A numerical method is proposed for solving nonlocal boundary value problem for the multidimensional elliptic partial differential equation with the Bitsadze-Samarskii-Dirichlet condition.
Allaberen Ashyralyev   +1 more
doaj   +1 more source

The Future of Foundation Machine Learning Potentials and DFT in Homogeneous Catalysis: Competition or Synergy?

open access: yesChemistry – 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 the Second Order of Accuracy Stable Implicit Difference Scheme for Elliptic-Parabolic Equations

open access: yesAbstract and Applied Analysis, 2012
We are interested in studying a second order of accuracy implicit difference scheme for the solution of the elliptic-parabolic equation with the nonlocal boundary condition. Well-posedness of this difference scheme is established.
Allaberen Ashyralyev, Okan Gercek
doaj   +1 more source

On Nonlinear Parabolic Equations with Nonlocal Boundary Condition

open access: yesJournal of Mathematical Analysis and Applications, 1994
Let \(\emptyset \neq \Omega \subset \mathbb{R}^ n\) be a bounded domain with \(C^ 2\)-boundary and \(T > 0\). Of concern is the semilinear second order initial-boundary value problem \[ \begin{alignedat}{2} \partial_ tu(t,x) - A(t)u(t,x) & = f \bigl( t,x,u(t,x) \bigr), &\qquad (t,x) &\in (0,T) \times \Omega, \\ u(t,x) & = \int_ \Omega \Phi (x,y) u(t,y)
openaire   +1 more source

Invariant Measure and Universality of the 2D Yang–Mills Langevin Dynamic

open access: yesCommunications on Pure and Applied Mathematics, EarlyView.
ABSTRACT We prove that the Yang–Mills (YM) measure for the trivial principal bundle over the two‐dimensional torus, with any connected, compact structure group, is invariant for the associated renormalised Langevin dynamic. Our argument relies on a combination of regularity structures, lattice gauge‐fixing and Bourgain's method for invariant measures ...
Ilya Chevyrev, Hao Shen
wiley   +1 more source

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