Add to ORKGLocal and longe range contributions to bond order are calculated for several benzenoid and non-benzenoid alternant molecules. The local effects are found to be linearly correlated with the bond orders of benzenoid, but not of nonbenzenoid systems. On the basis of these investigations a measure of the aromatic character of a bond is introduced
International audienceBenzenoids are a subfamily of hydrocarbons (molecules that are only made of hy...
It is shown that the ring currents in perimeter hexagonal rings of Kekulean benzenoids, as estimated...
Predicting physicochemical properties of molecules is one of the fundamental tasks in chemical physi...
Local and longe range contributions to bond order are calculated for several benzenoid and non-benze...
In recent years conjugated molecules have been intensely studied by means of graph theory1 and a num...
A method of evaluating Pauling bond orders of conjugated hydrocarbons is outlined. It is based on th...
Two hundred and twenty-three aromatic carbon-carbon bond lengths in high precision crystal structure...
Localized molecular orbitals for n-systems of conjugated polycyclic hydrocarbons have been calculate...
Two hundred and twenty-three aromatic carbon-carbon bond lengths in high precision crystal structure...
The graph spectral theory of conjugated molecules is presented. It is shown that the number of bondi...
The total n-electron energy and chemical stability of conjugated hydrocarbons are discussed using th...
The Clar aromatic sextet theory can provide a qualitative description of the dominant modes of cycli...
The degree of p-electron (de)localization and aromaticity of a series of polybenzenoid hydrocarbons ...
Graph theoretical rules, based on the Sachs theorem, for . computing the characteristic polynomials ...
It is shown that the vertices of benzenoid systems admit a labeling which reflects their distance re...
International audienceBenzenoids are a subfamily of hydrocarbons (molecules that are only made of hy...
It is shown that the ring currents in perimeter hexagonal rings of Kekulean benzenoids, as estimated...
Predicting physicochemical properties of molecules is one of the fundamental tasks in chemical physi...
Local and longe range contributions to bond order are calculated for several benzenoid and non-benze...
In recent years conjugated molecules have been intensely studied by means of graph theory1 and a num...
A method of evaluating Pauling bond orders of conjugated hydrocarbons is outlined. It is based on th...
Two hundred and twenty-three aromatic carbon-carbon bond lengths in high precision crystal structure...
Localized molecular orbitals for n-systems of conjugated polycyclic hydrocarbons have been calculate...
Two hundred and twenty-three aromatic carbon-carbon bond lengths in high precision crystal structure...
The graph spectral theory of conjugated molecules is presented. It is shown that the number of bondi...
The total n-electron energy and chemical stability of conjugated hydrocarbons are discussed using th...
The Clar aromatic sextet theory can provide a qualitative description of the dominant modes of cycli...
The degree of p-electron (de)localization and aromaticity of a series of polybenzenoid hydrocarbons ...
Graph theoretical rules, based on the Sachs theorem, for . computing the characteristic polynomials ...
It is shown that the vertices of benzenoid systems admit a labeling which reflects their distance re...
International audienceBenzenoids are a subfamily of hydrocarbons (molecules that are only made of hy...
It is shown that the ring currents in perimeter hexagonal rings of Kekulean benzenoids, as estimated...
Predicting physicochemical properties of molecules is one of the fundamental tasks in chemical physi...