Electron Densities, Deformation Densities, and Chemical Bonding
β Scribed by Prof. Dr. W. H. Eugen Schwarz; Prof. Dr. Klaus Ruedenberg; Dipl.-Chem. Lothar Mensching; Dr. Lance L. Miller; Dr. Petros Valtazanos; Prof. Dr. Wolfgang von Niessen
- Publisher
- John Wiley and Sons
- Year
- 1989
- Tongue
- English
- Weight
- 481 KB
- Volume
- 28
- Category
- Article
- ISSN
- 0044-8249
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
## Abstract Stalke's dilemma, stating that different chemical interpretations are obtained when one and the same density is interpreted either by means of natural bond orbital (NBO) and subsequent natural resonance theory (NRT) application or by the quantum theory of atoms in molecules (QTAIM), is
It is known that in numerous interesting systems one-electron states appear with a multifractal internal structure. Physical intuition suggests, however, that electron densities should be smooth both at atomic distances and close to the macroscopic limit. Multifractal behavior is expected at interme
Except for the case of van der Waals interactions, homopolar bonds are covalent and therefore a concentration of the electron density is expected at the bond midpoint. Many experimental and theoretical studies have reported standard deformation density maps and molecular density minus spherical atom