Results 121 to 130 of about 1,591,753 (376)

Chiral Amplification and Regulation: Design and Applications of Circularly Polarized Luminescence‐Active Materials Derived From Macrocyclic Compounds

open access: yesAggregate, EarlyView.
The graphical abstract highlights the key concepts of this review, including chiral transfer and amplification mechanisms, macrocyclic compounds, circularly polarized luminescence (CPL) applications, chiral sensing, asymmetric catalysis, and stimuli‐responsive applications.
Wei Zhang, Mao‐Qin Liu, Yang Luo
wiley   +1 more source

Machine Learning to Predict Homolytic Dissociation Energies of C−H Bonds: Calibration of DFT‐based Models with Experimental Data

open access: yesMolecular Informatics, Volume 42, Issue 1, January 2023., 2023
Abstract Random Forest (RF) QSPR models were developed with a data set of homolytic bond dissociation energies (BDE) previously calculated by B3LYP/6‐311++G(d,p)//DFTB for 2263 sp3C−H covalent bonds. The best set of attributes consisted in 114 descriptors of the carbon atom (counts of atom types in 5 spheres around the kernel atom and ring descriptors).
Wanli Li   +3 more
wiley   +1 more source

Metric Foliations on the Euclidean Space [PDF]

open access: yesarXiv, 2018
We complete a minor gap in Gromoll and Walschap classification of metric fibrations from the Euclidean space, thus completing the classification of Riemannian foliations on Euclidean spaces.
arxiv  

Solution of boundary value problems for batteries: Operator‐theoretic methods

open access: yesAIChE Journal, EarlyView.
Abstract Batteries with porous electrodes of negligible ionic and electronic conduction resistance are modeled with reaction‐diffusion equations in multilayered media. The classical separation of variables becomes inapplicable to battery problems because of nonlinearities in reaction rates and constraints of imposed current. A linear operator‐theoretic
Doraiswami Ramkrishna   +1 more
wiley   +1 more source

Characterizing digital microstructures by the Minkowski‐based quadratic normal tensor

open access: yesMathematical Methods in the Applied Sciences, Volume 46, Issue 1, Page 961-985, 15 January 2023., 2023
For material modeling of microstructured media, an accurate characterization of the underlying microstructure is indispensable. Mathematically speaking, the overall goal of microstructure characterization is to find simple functionals which describe the geometric shape as well as the composition of the microstructures under consideration and enable ...
Felix Ernesti   +5 more
wiley   +1 more source

Geometric perspective to Degree–Based topological indices of supramolecular chain

open access: yesResults in Engineering, 2022
Sombor index and their types are introduced pertaining to Euclidean geometry. In graph-theoretical terminology, it is the sum of all pairs of adjacent vertices di2+dj2 given di is the degree of ith vertex.
Muhammad Imran   +4 more
doaj  

Euclidean volume growth for complete Riemannian manifolds [PDF]

open access: yesarXiv, 2020
We provide an overview of technics that lead to an Euclidean upper bound on the volume of geodesic balls.
arxiv  

On the Homogeneous Model of Euclidean Geometry [PDF]

open access: yes, 2011
We attach the degenerate signature (n,0,1) to the projectivized dual Grassmann algebra over R(n+1). We explore the use of the resulting Clifford algebra as a model for euclidean geometry. We avoid problems with the degenerate metric by constructing an algebra isomorphism between this Grassmann algebra and its dual, that yields non-metric meet and join ...
openaire   +3 more sources

Harnessing Deep Learning of Point Clouds for Morphology Mimicking of Universal 3D Shape‐Morphing Devices

open access: yesAdvanced Intelligent Systems, EarlyView.
Soft robots capable of morphing into various 3D shapes are crucial for applications like human‐machine interfaces and biological manipulation. However, controlling 3D shape‐morphing robots with soft actuators remains a challenge. This work introduces a machine learning model that maps complex 3D deformations to control inputs, enabling robots to mimic ...
Jue Wang   +3 more
wiley   +1 more source

Sombor topological indices for different nanostructures

open access: yesHeliyon, 2023
Euclidean geometry is utilized to establish the Sombor graph parameter and its invariants. It is sum of all adjacent vertices in graph theory dϒ2+dΓ2 where dϒ is the degree of the vertex ϒ.
Muhammad Imran   +4 more
doaj  

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