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The role of symmetry in the estimation of triplet invariants: theoretical considerations and applications

✍ Scribed by Burla, M. C. ;Giacovazzo, C.

Book ID
114513475
Publisher
International Union of Crystallography
Year
1991
Tongue
English
Weight
619 KB
Volume
47
Category
Article
ISSN
0108-7673

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πŸ“œ SIMILAR VOLUMES

Geometry of ammonia molecule in the lowe
Geometry of ammonia molecule in the lowest triplet state estimated theoretically
✍ Danuta Jeziorek; Bronislaw Ε»urawski πŸ“‚ Article πŸ“… 1979 πŸ› John Wiley and Sons 🌐 English βš– 176 KB

## Abstract The geometrical parameters of the ammonia molecule in the lowest‐lying triplet state have been estimated by means of the SCF method and by making an extrapolation to take into account electron correlation effects. The planar configuration has been obtained as the most probable geometric