Add to ORKGAn integral formula is derived exhibiting the dependence of the π-electron charge density (in the framework of Huckel theory) on the coefficients of the characteristic polynomial of the molecular graph and one of its subgraphs. Several simple consequences of this formula are demostrated
Graph theoretical rules, based on the Sachs theorem, for . computing the characteristic polynomials ...
Recent experimental and theoretical researches have gradually proved that hydrogen bond (H-bond) int...
The total π-electron energy, as calculated within the Hückel tight-binding molecular orbital approxi...
An integral formula is derived exhibiting the dependence of the π-electron charge density (in the...
The total n-electron energy and chemical stability of conjugated hydrocarbons are discussed using th...
The graph spectral theory of conjugated molecules is presented. It is shown that the number of bondi...
Various lower and upper bounds (eqs 9, 15, 16, 26, 27, 28, 34, 40 and 41 are obtained for the Hiicke...
The automatic and computer-aided prediction of reactivity by means of a few basic atomic parameters ...
Chemical bonding is described in terms of the properties of the one-electron density f2 (r) and the ...
In the present note we would like to report a further application1 of the Sachs formula2 to conjugat...
For certain classes of molecules it is possible to obtain a general solution ·of the Ruckel problem,...
The energy of a graph began with German physicist, Erich H¨uckel’s 1931 paper, Quantenttheoretische ...
For alternant hydrocarbons whose molecular graphs possess n vertices and m edges Turker recently put...
Graph Theory is one branch of Mathematics that laid the foundations of the structural studies in Che...
All atomic and molecular properties are governed by an electron density distribution. Thus, the meth...
Graph theoretical rules, based on the Sachs theorem, for . computing the characteristic polynomials ...
Recent experimental and theoretical researches have gradually proved that hydrogen bond (H-bond) int...
The total π-electron energy, as calculated within the Hückel tight-binding molecular orbital approxi...
An integral formula is derived exhibiting the dependence of the π-electron charge density (in the...
The total n-electron energy and chemical stability of conjugated hydrocarbons are discussed using th...
The graph spectral theory of conjugated molecules is presented. It is shown that the number of bondi...
Various lower and upper bounds (eqs 9, 15, 16, 26, 27, 28, 34, 40 and 41 are obtained for the Hiicke...
The automatic and computer-aided prediction of reactivity by means of a few basic atomic parameters ...
Chemical bonding is described in terms of the properties of the one-electron density f2 (r) and the ...
In the present note we would like to report a further application1 of the Sachs formula2 to conjugat...
For certain classes of molecules it is possible to obtain a general solution ·of the Ruckel problem,...
The energy of a graph began with German physicist, Erich H¨uckel’s 1931 paper, Quantenttheoretische ...
For alternant hydrocarbons whose molecular graphs possess n vertices and m edges Turker recently put...
Graph Theory is one branch of Mathematics that laid the foundations of the structural studies in Che...
All atomic and molecular properties are governed by an electron density distribution. Thus, the meth...
Graph theoretical rules, based on the Sachs theorem, for . computing the characteristic polynomials ...
Recent experimental and theoretical researches have gradually proved that hydrogen bond (H-bond) int...
The total π-electron energy, as calculated within the Hückel tight-binding molecular orbital approxi...