Results 241 to 250 of about 612,388 (310)

Nucleophilic Addition versus Migratory Insertion Pathways in the Gold‐Catalysed Heck Reaction: A Computational Study

Chemistry – A European Journal, Accepted Article.
The initial reaction steps in the formation of Heck‐type arylated alkenes catalysed by P^N chelated Au(III) complexes have been studied computationally. Two mechanistic alternatives have been explored: (1) alkene coordination and insertion into a gold‐carbon bond, and (2) nucleophilic attack on a gold(III) alkene adduct. The common starting point, the [
Peter H. M. Budzelaar, Luca Rocchigiani, Manfred Bochmann   +2 more
wiley   +1 more source

The conditions of failing and successful plant invasions with free boundary. [PDF]

Sci Rep
Li R, Zhu L, Zhou Y.
europepmc   +1 more source

Understanding Small Molecule Activation Promoted by Heavier Benzene 1,4‐diides: Interplay Between Diradical Character and Aromaticity

Chemistry – A European Journal, EarlyView.
The intricate relationship between diradical character, aromaticity, and reactivity in annulated heavier Group 14 benzene‐1,4‐diides (see picture) has been investigated through Density Functional Theory and ab initio calculations. A direct correlation between reactivity and diradical character, both of which increase down Group 14, is found.
Daniel González‐Pinardo, Rajendra S. Ghadwal, Israel Fernández   +2 more
wiley   +1 more source

Magnetic Tunneling Between Disc-Shaped Obstacles. [PDF]

Commun Math Phys
Fournais S, Morin L.
europepmc   +1 more source

Optimal control of axial dispersion tubular reactors with recycle: Addressing state‐delay through transport PDEs

The Canadian Journal of Chemical Engineering, EarlyView.
The boundary‐regulated distributed parameter system of an axial dispersion tubular reactor with delayed recycle is showcased, along with the optimal observer‐based control strategy developed using a late‐lumping method for its stabilization. Abstract The optimal control of an axial tubular reactor with a recycle stream is addressed as a key type of ...
Behrad Moadeli, Guilherme Ozorio Cassol, Stevan Dubljevic   +2 more
wiley   +1 more source

Para-Markov chains and related non-local equations. [PDF]

Fract Calc Appl Anal
Facciaroni L, Ricciuti C, Scalas E, Toaldo B.   +3 more
europepmc   +1 more source

The multiplicity of eigenvalues [PDF]

Bulletin of the American Mathematical Society, 1982
openaire   +3 more sources

Impact of slug length in gas–liquid two‐phase flow on the structural stress characteristics of horizontal rigid pipelines

The Canadian Journal of Chemical Engineering, EarlyView.
Data collection and processing of slug length in two‐phase flow‐induced stress analysis. Abstract The intermittent passage of liquid slugs and gas pockets in slug flow generates substantial cyclic stress damage to piping systems and their supports. This issue poses significant challenges to the various industries in which this flow pattern is present ...
Abdalellah O. Mohmmed, Hussain H. Al‐Kayiem, Abderraouf Arabi   +2 more
wiley   +1 more source

Geometric Bounds for Low Steklov Eigenvalues of Finite Volume Hyperbolic Surfaces. [PDF]

J Geom Anal
Hassannezhad A, Métras A, Perrin H.
europepmc   +1 more source

Noisy matrix completion for longitudinal data with subject‐ and time‐specific covariates

Canadian Journal of Statistics, EarlyView.
Abstract In this article, we consider the imputation of missing responses in a longitudinal dataset via matrix completion. We propose a fixed‐effect, longitudinal, low‐rank model that incorporates both subject‐specific and time‐specific covariates. To solve the optimization problem, a two‐step optimization algorithm is proposed, which provides good ...
Zhaohan Sun, Yeying Zhu, Joel A. Dubin
wiley   +1 more source