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CNDO calculations of ring puckering potential energy

✍ Scribed by Giancarlo De Alti; Piero Decleva


Publisher
Elsevier Science
Year
1976
Tongue
English
Weight
712 KB
Volume
31
Category
Article
ISSN
0022-2860

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πŸ“œ SIMILAR VOLUMES


Ring puckering potential function of 1.3
✍ L.M. Boggia; P.G. Favero; O.M. Sorarrain πŸ“‚ Article πŸ“… 1971 πŸ› Elsevier Science 🌐 English βš– 301 KB

A double minimum potentiaf. function for the out-of-plane ring bending vibration of IJpropiolactone has been found that can explain the variation of A, B. C and the energy separations of the first four states of this vibration.

Potential Energy Surface of the Ring Puc
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The equatorial-axial conformational equilibrium of 1-chloro-1-silacyclobutane has been investigated by microwave spectroscopy and ab initio calculations. The potential energy function of the ring puckering motion has been determined: four vibrational states are localized in the equatorial well and t

The ring puckering potential of oxetane:
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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

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✍ Hanell Sellers πŸ“‚ Article πŸ“… 1984 πŸ› Elsevier Science 🌐 English βš– 232 KB

## 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 a