Experimental Electron Densities and Chemical Bonding
β Scribed by Prof. Dr. Philip Coppens
- Publisher
- John Wiley and Sons
- Year
- 1977
- Tongue
- English
- Weight
- 1019 KB
- Volume
- 16
- 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
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
at equilibrium; cf. Fig. I), according to the Hammond postulate the transition state in our case is more similar to the covalent compound than on collapse of the high-energy system of dissociated ions in dichloroethandB1. Dynamic NMR measurements therefore permit the study of barriers of ionization