With electronegativity and hardness of an atom defined as 1/2(I + A) and 1/2(I - A), respectively, where I and A are the ionization potential and electron affinity, electronegativity difference and hardness sum are proposed as coordinates in structure stability diagrams. With these coordinates a successful topological classification of the crystal structures of octet and suboctet binary compounds is obtained, and a clear delineation of the structural classes portraying chemical periodicity is found
International audienceThe reactivity descriptors like electronegativity, hardness, and electrophilic...
One challenge in chemistry is the plethora of often disparate models for rationalizing the electroni...
Modern views on atomic and group electronegativity are classified. Trends in the electronegativity c...
With electronegativity and hardness of an atom defined as 1/2(I + A) and 1/2(I - A), respectively, w...
Electronegativity (χ) is an important property of any chemical species as it helps to predict the pa...
The chemical hardness concept and its realization within the conceptual density functional theory is...
On the basis of a previously suggested approach to the calculation of 'inductive' electronegativitie...
Density-functional theory allows a systematic theoretical approach for quantifying electronegativity...
In recent papers we defined a theoretical frame aimed at characterizing the hardness and potential e...
The properties of numerous technologically important materials are determined by the crystal structu...
We present benchmark values for the electronic chemical potential and chemical hardness from referen...
The goal of solid state physics and chemistry is to gain deeper understanding of the basic principle...
Hardness and polarizability are associated with easily discernible atomic shell structures across th...
We have developed a method to predict the hardness of materials containing ultrastrong anionic polyh...
In this paper, for the first time we have correlated the hardness (η), softness (s), and polari...
International audienceThe reactivity descriptors like electronegativity, hardness, and electrophilic...
One challenge in chemistry is the plethora of often disparate models for rationalizing the electroni...
Modern views on atomic and group electronegativity are classified. Trends in the electronegativity c...
With electronegativity and hardness of an atom defined as 1/2(I + A) and 1/2(I - A), respectively, w...
Electronegativity (χ) is an important property of any chemical species as it helps to predict the pa...
The chemical hardness concept and its realization within the conceptual density functional theory is...
On the basis of a previously suggested approach to the calculation of 'inductive' electronegativitie...
Density-functional theory allows a systematic theoretical approach for quantifying electronegativity...
In recent papers we defined a theoretical frame aimed at characterizing the hardness and potential e...
The properties of numerous technologically important materials are determined by the crystal structu...
We present benchmark values for the electronic chemical potential and chemical hardness from referen...
The goal of solid state physics and chemistry is to gain deeper understanding of the basic principle...
Hardness and polarizability are associated with easily discernible atomic shell structures across th...
We have developed a method to predict the hardness of materials containing ultrastrong anionic polyh...
In this paper, for the first time we have correlated the hardness (η), softness (s), and polari...
International audienceThe reactivity descriptors like electronegativity, hardness, and electrophilic...
One challenge in chemistry is the plethora of often disparate models for rationalizing the electroni...
Modern views on atomic and group electronegativity are classified. Trends in the electronegativity c...