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1.
Gallaugher Michael P. B. Tomarchio Salvatore D. McNicholas Paul D. Punzo Antonio 《Advances in Data Analysis and Classification》2022,16(4):1097-1097
Advances in Data Analysis and Classification - In the original publication of the article, the line after equation (5) has been published incorrectly 相似文献
2.
Dr. Shanyu Han Prof. Antonio G. S. de Oliveira-Filho Dr. Yinan Shu Prof. Donald G. Truhlar Prof. Hua Guo 《Chemphyschem》2022,23(8):e202200039
We present a new full-dimensional diabatic potential energy matrix (DPEM) for electronically nonadiabatic collisions of OH(A 2Σ+) with H2, and we calculate the probabilities of electronically adiabatic inelastic collisions, nonreactive quenching, and reactive quenching to form H2O+H. The DPEM was fitted using a many-body expansion with permutationally invariant polynomials in bond-order functions to represent the many-body part. The dynamics calculations were carried out with the fewest-switches with time uncertainty and stochastic decoherence (FSTU/SD) semiclassical trajectory method. We present results both for head-on collisions (impact parameter b equal to zero) and for a full range of impact parameters. The results are compared to experiment and to earlier FSTU/SD and quantum dynamics calculations with a previously published DPEM. The various theoretical results all agree that nonreactive quenching dominates reactive quenching, but there are quantitative differences between the two DPEMs and between the b=0 results and the all-b results, especially for the probability of reactive quenching. 相似文献
3.
Cardin Pedro Toniol Teixeira Marco Antonio 《Journal of Dynamics and Differential Equations》2022,34(2):775-787
Journal of Dynamics and Differential Equations - In this paper we focus on a class of symmetric vector fields in the context of singularly perturbed fast-slow dynamical systems. Our main question... 相似文献
4.
Dr. Andrea Aloia Dr. Michele Casiello Prof. Lucia D'Accolti Dr. Caterina Fusco Prof. Angelo Nacci Dr. Antonio Monopoli 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(65):e202202350
A novel Pd-catalysed oxidative coupling between benzoic acids and vinylarenes or acrylates to furnish isocoumarins and phthalides is reported. The reaction proceeds smoothly in molten tetrabutylammonium acetate via a selective C−H bond activation, with very low percentage of ligand-free palladium acetate as the catalyst, under atmospheric pressure of oxygen. Sub-stoichiometric amount of copper acetate is also required as a reoxidant for the palladium. 相似文献
5.
The data clustering problem consists in dividing a data set into prescribed groups of homogeneous data. This is an NP-hard problem that can be relaxed in the spectral graph theory, where the optimal cuts of a graph are related to the eigenvalues of graph 1-Laplacian. In this paper, we first give new notations to describe the paths, among critical eigenvectors of the graph 1-Laplacian, realizing sets with prescribed genus. We introduce the pseudo-orthogonality to characterize m3(G), a special eigenvalue for the graph 1-Laplacian. Furthermore, we use it to give an upper bound for the third graph Cheeger constant h3(G), that is, h3(G) 6 m3(G). This is a first step for proving that the k-th Cheeger constant is the minimum of the 1-Laplacian Raylegh quotient among vectors that are pseudo-orthogonal to the vectors realizing the previous k - 1 Cheeger constants. Eventually, we apply these results to give a method and a numerical algorithm to compute m3(G), based on a generalized inverse power method. 相似文献
6.
Ojo Oluwasegun Taiwo Fernández Anta Antonio Lillo Rosa E. Sguera Carlo 《Advances in Data Analysis and Classification》2022,16(3):725-760
Advances in Data Analysis and Classification - We propose two new outlier detection methods, for identifying and classifying different types of outliers in (big) functional data sets. The proposed... 相似文献
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Di Turo Francesca Parra Rafael Piquero-Cilla Joan Favero Gabriele Doménech-Carbó Antonio 《Journal of Solid State Electrochemistry》2019,23(3):771-781
Journal of Solid State Electrochemistry - Electrochemical impedance spectroscopy (EIS) and voltammetry of immobilized particles (VIMP) measurements using air-saturated mineral water and... 相似文献