Add to ORKGOn the basis of a previously suggested approach to the calculation of 'inductive' electronegativities of atoms and groups a simple method of theoretical estimation of in situ inductive electronegativities is elaborated. The method also allows the determination of inductive local and global chemical hardness parameters on the basis of geometric characteristics of bonded atoms. This made it possible to provide a new 'steric' interpretation for some known chemical rules, such as the principle of maximum hardness. (C) 2000 Elsevier Science B.V
The relationships between atomic hardness, atomic electronegativity, and electronic energy are consi...
A new approach to the calculation of group electronegativity is introduced on the basis of previousl...
A new approach to the calculation of group electronegativity is introduced on the basis of previousl...
On the basis of a previously suggested approach to the calculation of 'inductive' electronegativitie...
On the basis of a previously suggested approach to the calculation of 'inductive' electronegativitie...
A new approach to the calculation of group electronegativity is introduced on the basis of previousl...
A new method, based on the previously developed model of the inductive effect and on fundamental phy...
A new method, based on the previously developed model of the inductive effect and on fundamental phy...
A new method, based on the previously developed model of the inductive effect and on fundamental phy...
A new method, based on the previously developed model of the inductive effect and on fundamental phy...
The chemical hardness concept and its realization within the conceptual density functional theory is...
A theoretical method is proposed for the calculation of group electronegativities of substituents ba...
Electronegativity (χ) is an important property of any chemical species as it helps to predict the pa...
Hardness and electrophilicity values for several molecules involved in different chemical reactions ...
A systematic account is given of the current ideas about atomic and group electronegativities and th...
The relationships between atomic hardness, atomic electronegativity, and electronic energy are consi...
A new approach to the calculation of group electronegativity is introduced on the basis of previousl...
A new approach to the calculation of group electronegativity is introduced on the basis of previousl...
On the basis of a previously suggested approach to the calculation of 'inductive' electronegativitie...
On the basis of a previously suggested approach to the calculation of 'inductive' electronegativitie...
A new approach to the calculation of group electronegativity is introduced on the basis of previousl...
A new method, based on the previously developed model of the inductive effect and on fundamental phy...
A new method, based on the previously developed model of the inductive effect and on fundamental phy...
A new method, based on the previously developed model of the inductive effect and on fundamental phy...
A new method, based on the previously developed model of the inductive effect and on fundamental phy...
The chemical hardness concept and its realization within the conceptual density functional theory is...
A theoretical method is proposed for the calculation of group electronegativities of substituents ba...
Electronegativity (χ) is an important property of any chemical species as it helps to predict the pa...
Hardness and electrophilicity values for several molecules involved in different chemical reactions ...
A systematic account is given of the current ideas about atomic and group electronegativities and th...
The relationships between atomic hardness, atomic electronegativity, and electronic energy are consi...
A new approach to the calculation of group electronegativity is introduced on the basis of previousl...
A new approach to the calculation of group electronegativity is introduced on the basis of previousl...