A new, simple, relation is established between the total π-electron energy and the HOMO-LUMO gap, applicable to benzenoid hydrocarbons. This work is licensed under a Creative Commons Attribution 4.0 International License
The stabilization energy of benzene (SE) is proposed to be · calculated from the increments of heats...
Abstract. Comparison is made between three different indices that characterise the individual rings ...
For alternant hydrocarbons whose molecular graphs possess n vertices and m edges Turker recently put...
833-836Three novel lower bounds for the total π-electron energy of benzenoid hydrocarbons have been ...
Two empirical rules are formulated for the topological resonance energy (TRE) of benzenoid hydrocarb...
The total π-electron energy, as calculated within the Hückel tight-binding molecular orbital approxi...
A general scheme for estimation of aromatic stabilization energies of benzenoid hydrocarbons based o...
The total n-electron energy and chemical stability of conjugated hydrocarbons are discussed using th...
In the present note we would like to report a further application1 of the Sachs formula2 to conjugat...
Bounds and approximate topological formulas are derived for the -HOMO-LUMO separation of alternant a...
The applicability of the Hall rule (linear relation between the total π-electron energy and the numb...
Energy gaps between the highest-occupied molecular orbital and lowest-unoccupied molecular orbital (...
Comparison is made between three different indices that characterise the individual rings of a wide ...
The positions of the α- and β-bands in the electronic absorption spectra of twenty aromatic benzenoi...
Ab initio HF, MP2, CCSD(T) and hybrid density functional B3LYP calculations were performed on a seri...
The stabilization energy of benzene (SE) is proposed to be · calculated from the increments of heats...
Abstract. Comparison is made between three different indices that characterise the individual rings ...
For alternant hydrocarbons whose molecular graphs possess n vertices and m edges Turker recently put...
833-836Three novel lower bounds for the total π-electron energy of benzenoid hydrocarbons have been ...
Two empirical rules are formulated for the topological resonance energy (TRE) of benzenoid hydrocarb...
The total π-electron energy, as calculated within the Hückel tight-binding molecular orbital approxi...
A general scheme for estimation of aromatic stabilization energies of benzenoid hydrocarbons based o...
The total n-electron energy and chemical stability of conjugated hydrocarbons are discussed using th...
In the present note we would like to report a further application1 of the Sachs formula2 to conjugat...
Bounds and approximate topological formulas are derived for the -HOMO-LUMO separation of alternant a...
The applicability of the Hall rule (linear relation between the total π-electron energy and the numb...
Energy gaps between the highest-occupied molecular orbital and lowest-unoccupied molecular orbital (...
Comparison is made between three different indices that characterise the individual rings of a wide ...
The positions of the α- and β-bands in the electronic absorption spectra of twenty aromatic benzenoi...
Ab initio HF, MP2, CCSD(T) and hybrid density functional B3LYP calculations were performed on a seri...
The stabilization energy of benzene (SE) is proposed to be · calculated from the increments of heats...
Abstract. Comparison is made between three different indices that characterise the individual rings ...
For alternant hydrocarbons whose molecular graphs possess n vertices and m edges Turker recently put...
DOI
Add to ORKG