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Study of the Orbital Hardness and the Kohn-Sham Radius on Single Monoatomic Anions
(WILEY, 2011)
Within the Kohn-Sham framework and for a series of single charged monatomic anions, the orbital hardness is calculated as a change in the frontier eigenvalue, which is equivalent to integrate the local hardness function ...
Determinação experimental dos raios cristalográficos dos íons sódio e cloretoDetermination of the crystallographic radii of sodium and chloride ions
(Sociedade Brasileira de Química, 2007)
Electrostatic contributions to thermodynamic properties of aqueous ions from electrostatic potentials defined in the context of density functional theory
(1993)
Density functional theory provides physically meaningful ionic radii to build up electrostatic potentials for singly charged negative and positive monoatomic ions. On the basis of these electrostatic potentials, electrostatic ...
Flexible Ion-Gated Transistors Making Use of Poly-3-hexylthiophene (P3HT): Effect of the Molecular Weight on the Effectiveness of Gating and Device Performance
(Springer, 2020-06-17)
Poly-3-hexylthiophene (P3HT) is a benchmark semiconducting polymer in organic electronics. Ion-gated transistors (IGTs), making use of ionic gating media, are particularly interesting for flexible and printable& x2423;organic ...
Low Temperature Synthesis of Several Titanium Dioxide Solid Solutions through the Sol-Gel Method
(Univ Federal Mato Grosso Sul, Dept Quimica, 2018-01-01)
Titanium dioxide powders constituted by anatase single phase are very useful to understand several properties of that semiconductor applied as photocatalyst material. In addition, the reconstructive transformation involved ...
Quantificação dos nutrientes minerais Na, K e Mg por espectrometria atômica e dos ânions Cl- , SO4 2- , HCO3 - , NO3 - e NO2 - por eletroforese capilar de zona em amostras de agua de carcinicultura
(Universidade Federal de Juiz de Fora (UFJF)BrasilICE – Instituto de Ciências ExatasPrograma de Pós-graduação em QuímicaUFJF, 2022)