✦ LIBER ✦
An attempt to correlate appearance potentials and semi-empirical SCF-LCAO-MO data
✍ Scribed by Heinz Sterk; Franz Heresch
- Publisher
- John Wiley and Sons
- Year
- 1976
- Tongue
- English
- Weight
- 221 KB
- Volume
- 11
- Category
- Article
- ISSN
- 1076-5174
No coin nor oath required. For personal study only.
✦ Synopsis
Abstract
Applying the Bell‐Evans‐polanyi principle to mass spectrometric gramentations gives a relationship for calculating their activation energies from various MO data, such as heats of formation and electronic populations. Additionally, a possible extension of the original Bell‐Evans‐Polanyi principle is discussed.