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Optimizing feature selection through binary charged system search
(2013-09-26)
Feature selection aims to find the most important information from a given set of features. As this task can be seen as an optimization problem, the combinatorial growth of the possible solutions may be inviable for a ...
Applications of charge-density analysis to the rational design of molecular materials: a mini review on how to engineer optical or magnetic crystals
(Universidade Federal de Minas GeraisBrasilICX - DEPARTAMENTO DE QUÍMICAUFMG, 2020)
Low-temperature, high-resolution X-ray diffraction has become a rather established technique to unveil fine details of the electronic structure of molecules and even polymeric units in crystals. The most recent advances ...
Polyelectrolyte-protein complexation driven by charge regulation
(ROYAL SOC CHEMISTRY, 2009)
The interplay between the biocolloidal characteristics (especially size and charge), pH, salt concentration and the thermal energy results in a unique collection of mesoscopic forces of importance to the molecular organization ...
Optimal Charging Scheduling of Electric Vehicles based on Principal Component Analysis and Convex Optimization
(Cartagena de Indias, 2020-07-30)
The widespread presence of plug-in Electric Vehicles (PEVs) in distribution power grids brings significant concerns regarding their energy demand and peak power requirements. In order to reduce the PEV load impact on power ...
HSAB analysis of charge transfer in the gas-phase acid-base equilibria of alkyl-substituted alcohols
(American Chemical Society, 1999)
A simple model to analyze charge redistribution associated with proton transfer (PT) reaction is derived from a classical ion transport model. The model is applied to the gas-phase acid-base equilibria of alkyl alcohols. ...
The impact of spacer oxide material on the underlapped soi-nfinfet working as charged based radiation sensor
(2021-08-23)
— In this work, the influence of the underlap region on the electrical behavior of a SOI-nFinFET transistor has been studied by numerical simulation with the purpose of radiation sensing. The analysis has been performed ...
A charge jornalística: estratégias de imagem em enunciações de humor icônico
(Universidade Federal de Santa MariaBRComunicaçãoUFSMPrograma de Pós-Graduação em Comunicação, 2011-03-18)
This study focuses on analyzing the meanings and effects of sense produced by the cartoon's journalistic morphological elements, dynamic and scalar image. Therefore, it is the insertion of short redemption charge among ...
Topological analysis of the electronic charge density in the ethene protonation reaction catalyzed by acidic zeolite
(American Chemical Society, 2007-08)
In the present work, the distribution of the electronic charge density in the ethene protonation reaction by a zeolite acid site is studied within the framework of the density functional theory and the atoms in molecules ...