Chemists prefer to describe reactions in terms of the properties of isolated systems, chosen
to yield information on the behavior of a given reactant under perturbation by another …

The fundamental equations to describe the change from one ground-state to another, in the
framework of density functional theory, are used to analyze a set of hardness and softness …

Shells and subshells, and the singular importanceof closed shells, are ideas that permeate
the theoryof the structure of matter at all levels, from atomic nuclei, to atoms and molecules …

The concept of electronegativity has been modified, expanded, and debated. The concept
can be used to help students gain valuable insights and understanding of the cause-and …

Oxygen compounds of silicon constitute three fourths of the earth's crust. In practically all
rocks and minerals as well as constructing materials based on silicon, the element is present …

The equalization of the isolated system chemical potentials, µ= and µ=, to a common· value,
µ, in A---B is discussed within the following three alternative approaches:(1) the local …

Nickel-doped tin dioxide (NDT) microspheres with various doping levels were prepared by
hydrothermal synthesis and characterized by using X-ray powder diffraction, scanning …

A simple formalism devised to calculate the condensed-to-atoms Fukui function [RR
Contreras, P. Fuentealba, M. Galván, and P. Pérez, Chem. Phys. Lett. 304, 405 (1999)] has …

The design of efficient reduction catalysts is crucial for sustainable development in order to
reduce waste and protect the environment. Here, an ultrathin bimetallic metal–organic …

Popular qualitative chemical concepts such as electronegativity [1] and hardness [2] have
been widely used in understanding various aspects of chemical reactivity. A rigorous …