𝔖 Bobbio Scriptorium
✦   LIBER   ✦

High Level ab Initio Quantum Mechanical Predictions of Infrared Intensities

✍ Scribed by Galabov, Boris; Yamaguchi, Yukio; Remington, Richard B.; Schaefer, Henry F.


Book ID
126876321
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
84 KB
Volume
106
Category
Article
ISSN
1089-5639

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Reinvestigation of Οƒ-allyl cations: High
✍ Kim K. Baldridge; James Leahy; Jay S. Siegel πŸ“‚ Article πŸ“… 1999 πŸ› Elsevier Science 🌐 French βš– 239 KB

The question of stability of sigma-delocalized allyl cations is reinvestigated by hybrid I-IF-DFT quantum mechanical calculations. These computations predict that the existing molecular proposals, for such effects, are not symmetrically delocalized systems.