Insights Into Bifenthrin Stereoisomers and Their Regulatory Implications
Bifenthrin is a pyrethroid insecticide with two stereogenic centers, generating four stereoisomers with distinct physicochemical and electronic properties. A combined crystallographic and density functional theory study, supported by Hirshfeld surface, quantum theory of atoms in molecules, natural bond orbital, and reactivity descriptor analyses ...
Nayara C. M. Santos +7 more
wiley +1 more source
Can Eulerian Eddy Diffusivity Be Inferred From Lagrangian Trajectories?
Abstract Lagrangian particle trajectories are widely used to characterize tracer dispersion and mixing driven by mesoscale currents (“eddies”), leading to estimates of eddy diffusivity that can in turn be used in non‐eddy‐resolving and eddy‐permitting ocean models.
Yueyang Lu +2 more
wiley +1 more source
Comparison between the laplacian–energy–like invariant and the kirchhoff index
© 2016, International Linear Algebra Society. All Rights Reserved. For a simple connected graph G of order n, having Laplacian eigenvalues μ1, μ2, …, μn−1, μn = 0, the Laplacian–energy–like invariant (LEL) and the Kirchhoff index (Kf) are defined as LEL(G) = Σn−1i=1 √μi and Kf(G) = nΣn−1i=1 1/μi, respectively.
Pirzada, Shariefuddin +2 more
openaire +1 more source
Global weak solutions for the compressible Poisson–Nernst–Planck–Navier–Stokes system
Abstract We consider the compressible Poisson–Nernst–Planck–Navier–Stokes (PNPNS) system of equations, governing the transport of charged particles under the influence of the self‐consistent electrostatic potential, in a three‐dimensional bounded domain.
Daniel Marroquin, Dehua Wang
wiley +1 more source
Aromaticity of a ring by itself does not explain the binding energies of alkali and alkaline earth metal cations with nanographenes, but when combined with the Fukui function, it does. ABSTRACT Nanographenes, a subclass of polycyclic aromatic hydrocarbons (PAHs), have attracted significant interest due to their unique electronic properties and broad ...
Omkar Charapale +3 more
wiley +1 more source
Operator-level quantum acceleration of non-logconcave sampling. [PDF]
Leng J, Ding Z, Chen Z, Lin L.
europepmc +1 more source
Red Blood Cell Membrane Mechanics Using Discrete Exterior Calculus (DEC) and Optimization. [PDF]
Afas KC, Goldman D.
europepmc +1 more source
Stringy Corrections to Heterotic SU(3)-Geometry. [PDF]
McOrist J, Picard S.
europepmc +1 more source
Topological data analysis and topological deep learning beyond persistent homology: a review. [PDF]
Su Z +7 more
europepmc +1 more source
Best constants in subelliptic fractional Sobolev and Gagliardo-Nirenberg inequalities and ground states on stratified Lie groups. [PDF]
Ghosh S, Kumar V, Ruzhansky M.
europepmc +1 more source

