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Chemical reactivity descriptors evaluation for determining catalytic activity, redox potential, and oxygen binding of metallophthalocyanines
(Springer International Publishing, 2017)
Benchmark values of chemical potential and chemical hardness for atoms and atomic ions (including unstable anions) from the energies of isoelectronic series
(2016)
We present benchmark values for the electronic chemical potential and chemical hardness from reference data for ionization potentials and electron affinities. In cases where the energies needed to compute these quantities ...
An information-theoretic resolution of the ambiguity in the local hardness
(Royal Society of Chemistry, 2014)
The ambiguity of the local hardness is resolved by using information theory to select definitions of the local hardness that are as close as possible to a well-defined approximate formula for the local hardness. A condensed ...
The Fukui potential is a measure of the chemical hardness
(2011)
The chemical hardness is, after the chemical potential, the most important concept in describing the chemical reactivity of atoms and molecules. Recently, we showed that the Fukui potential at the nucleus of an atom is ...
The influence of chemical activation on hardness of dual-curing resin cements.
(2004-07-01)
During the cementation of metallic restorations, the polymerization of dual-curing resin cements depends exclusively on chemical activation. This study evaluated the influence of chemical activation compared with dual-curing ...
The influence of chemical activation on hardness of dual-curing resin cements.
(2004-07-01)
During the cementation of metallic restorations, the polymerization of dual-curing resin cements depends exclusively on chemical activation. This study evaluated the influence of chemical activation compared with dual-curing ...
Molecular interactions from the density functional theory for chemical reactivity: interaction chemical potential, hardness, and reactivity principles
(Frontiers Media, 2022)
In the first paper of this series, the authors derived an expression for the
interaction energy between two reagents in terms of the chemical reactivity
indicators that can be derived from density functional perturbation ...
Effect of repeated cycles of chemical disinfection on the roughness and hardness of hard reline acrylic resins
(WILEY-BLACKWELL, 2010)
Objective: The aim of this study was to assess the effect of repeated cycles of five chemical disinfectant solutions on the roughness and hardness of three hard chairside reliners. Methods: A total of 180 circular specimens ...
Chemical analysis and Vickers hardness of orthodontic mini-implants
(Faculdade de Odontologia de Piracicaba - UNICAMP, 2015-03-01)
Orthodontic mini-implants are used in clinical practice to provide efficient and aesthetically-pleasing anchorage. AIM: To evaluate the hardness Vickers hardness and chemical composition of mini-implant titanium alloys ...