| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 9582424 | Chemical Physics Letters | 2005 | 4 Pages |
Abstract
Making the usual assumptions typical of elementary Hückel theory including overlap it is shown that the Hückel energy of the two-electron bond is minimized for orbitals having maximum overlap, which yields maximum strength for the straight bond. Analysis of the bond energy for the general A-B bond shows for the molecular orbital description a more complicated dependence on the one-electron exchange-overlap densities of A and B than that recently derived by us in a corresponding valence bond treatment.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Valerio Magnasco,