Ab initio valence bond calculations. IX. Ionization potentials of ethylene, allyl radicall, trans-, and cis-butadiene

Ab initio valence bond calculations. X.

Ab initio valence bond calculations. X. Vertical valence ionization potentials of allene and butatriene

✍ Gian Franco Tantardini; Massimo Simonetta 📂 Article 📅 1979 🏛 John Wiley and Sons 🌐 English ⚖ 364 KB

## Abstract The ground and vertical valence ionized states of allene and butatriene have been studied in the __ab initio__ valence bond framework using the 6–31G basis set after contraction and introducing the core–valence shell separation. The final wave functions have been analyzed in terms of VB