It has been suggested that molecules arrange their electronic structure to be such that they have the maximum hardness, this being referred to as the principle of maximum hardness. This principle has been claimed to have been proved rigorously. We show that the proof is in error
The validity of the minimum polarizability principle upon electronic excitation is studied as a comp...
We investigate in this work the commonly used finite difference approximation to hardness (operation...
The chemical hardness is, after the chemical potential, the most important concept in describing the...
In this paper we test the principle of maximum hardness through an accurate quantum chemical calcula...
The maximum hardness principle is examined within the Gyftopoulos-Hatsopoulos three-level model for ...
Hardness and electrophilicity values for several molecules involved in different chemical reactions ...
We have computationally explored the fulfillment of the Maximum Hardness Principle in chemical react...
A recent paper [ P. W. Ayers, J. Chem. Phys122, 141102 (2005) ] considered the hard/soft acid/base e...
The chemical hardness concept and its realization within the conceptual density functional theory is...
It is shown that molecular hardness can be expressed as the geometric mean of the hardness values fo...
The validity of the maximum hardness principle (MHP) is tested in the cases of 50 chemical reactions...
The validity of the maximum hardness principle (MHP) is tested in the cases of 50 chemical reactions...
Ab initio SCF calculations using the 6-31G** basis set have been performed on a number of molecules ...
The validity of the minimum polarizability principle upon electronic excitation is studied as a comp...
The validity of the minimum polarizability principle upon electronic excitation is studied as a comp...
The validity of the minimum polarizability principle upon electronic excitation is studied as a comp...
We investigate in this work the commonly used finite difference approximation to hardness (operation...
The chemical hardness is, after the chemical potential, the most important concept in describing the...
In this paper we test the principle of maximum hardness through an accurate quantum chemical calcula...
The maximum hardness principle is examined within the Gyftopoulos-Hatsopoulos three-level model for ...
Hardness and electrophilicity values for several molecules involved in different chemical reactions ...
We have computationally explored the fulfillment of the Maximum Hardness Principle in chemical react...
A recent paper [ P. W. Ayers, J. Chem. Phys122, 141102 (2005) ] considered the hard/soft acid/base e...
The chemical hardness concept and its realization within the conceptual density functional theory is...
It is shown that molecular hardness can be expressed as the geometric mean of the hardness values fo...
The validity of the maximum hardness principle (MHP) is tested in the cases of 50 chemical reactions...
The validity of the maximum hardness principle (MHP) is tested in the cases of 50 chemical reactions...
Ab initio SCF calculations using the 6-31G** basis set have been performed on a number of molecules ...
The validity of the minimum polarizability principle upon electronic excitation is studied as a comp...
The validity of the minimum polarizability principle upon electronic excitation is studied as a comp...
The validity of the minimum polarizability principle upon electronic excitation is studied as a comp...
We investigate in this work the commonly used finite difference approximation to hardness (operation...
The chemical hardness is, after the chemical potential, the most important concept in describing the...
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