✦ LIBER ✦
On a relation proposed by Linderberg for the resonance integral in semi-empirical theories
✍ Scribed by D. Kracht; W.C. Nieuwpoort
- Publisher
- Elsevier Science
- Year
- 1971
- Tongue
- English
- Weight
- 246 KB
- Volume
- 9
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
✦ Synopsis
It is shown that the relation proposed by Linderberg for the resonance integral in MO theory cannot be applied In CNDO theory. In PPP theory where the relation. gives correct values for the resonance integral. it can be used to simpbfy substantially the expresslons appearing in the treatment of optical rotatory dispersion and circular dichroism spectra. Some time ago Underberg proposed a reiation [I] between the resonance integral fikI appearing in r-electron theory and the derivative with respect to the internuclear distance R of the overlap integral S.