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Valence-bond concepts in transition metals: metal hydride diatomic cations

✍ Scribed by Ohanessian, Gilles; Goddard, William A.


Book ID
111951792
Publisher
American Chemical Society
Year
1990
Tongue
English
Weight
928 KB
Volume
23
Category
Article
ISSN
0001-4842

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πŸ“œ SIMILAR VOLUMES


Valence and extra-valence orbitals in ma
✍ C. R. Landis; F. Weinhold πŸ“‚ Article πŸ“… 2006 πŸ› John Wiley and Sons 🌐 English βš– 204 KB

## Abstract We address the issue first raised by Maseras and Morokuma with regard to the questionable treatment of empty p‐orbitals in the algorithm for natural atomic/bond orbitals (NAOs, NBOs) and associated natural population analysis. We quantify this issue in terms of the numerical error (root