Calculation of systems involving strong delocalized bonds within a modified PCILO framework. I. Valence-bond PCILO method

Problems of the calculation of intermole

Problems of the calculation of intermolecular interactions on complexes with strong delocalized π-bonds within the PCILO framework

✍ R. Lochmann 📂 Article 📅 1977 🏛 John Wiley and Sons 🌐 English ⚖ 400 KB

## Abstract Strong delocalized π‐bonds must be approximated by localized π‐bonds within the PCILO framework. From this approximation some difficulties result in the calculation of intermolecular interactions. If only one subsystem involves delocalized π‐bonds the difficulties seem to be not very im