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The adiabatic correction to the ring puckering potential of oxetane

✍ Scribed by Hanell Sellers

Publisher
Elsevier Science
Year
1984
Tongue
English
Weight
232 KB
Volume
108
Category
Article
ISSN
0009-2614

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✦ Synopsis

Rcccivcd 5 April 1984

The adiabatic correction to the iiartree-Fock ring puckering potential of osetme is presented along with the adiabatic correction to potenthl functionsof IIz_ CO, and CO?. The oxetane calculation allows the identification of the source of the disrtgeement between theory and experiment for the barrier to ring planarity.

πŸ“œ SIMILAR VOLUMES

The ring puckering potential of oxetane:
The ring puckering potential of oxetane: local correlation results
✍ Harrell Sellers; Svein SΓ¦bΓΈ; Peter Pulay πŸ“‚ Article πŸ“… 1986 πŸ› Elsevier Science 🌐 English βš– 297 KB

The ring puckering potential of oxetane has been determined by the local correlation treatment of Saeb$ and Pulay and different many-body theories (Mbller-Plesset theory and the Chiles-Dykstra ACCD method). The results show that dispersion forces between non-bonded atoms contribute significantly to