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Molecules with high rotational angular momentum: a generalized ab initio approach

✍ Scribed by Lawrence L. Lohr


Book ID
113256715
Publisher
Elsevier Science
Year
1989
Tongue
English
Weight
470 KB
Volume
199
Category
Article
ISSN
0166-1280

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πŸ“œ SIMILAR VOLUMES


Centrifugal distortions in molecules: An
✍ Lawrence L. Lohr; A. J. Helman πŸ“‚ Article πŸ“… 1987 πŸ› John Wiley and Sons 🌐 English βš– 418 KB

Our procedure for employing analytical gradients of ab initio potential energy hypersurfaces in the description of centrifugally distorted molecules is applied for the first time to an asymmetric top, namely ozone. Both single determinantal (HF/6-31G\*) and analytically fitted multiconfigurational s