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Chemical Bonding in Phosphane and Amine Complexes of Main Group Elements and Transition Metals †

✍ Scribed by Bessac, Fabienne; Frenking, Gernot


Book ID
120287819
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
121 KB
Volume
45
Category
Article
ISSN
0020-1669

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📜 SIMILAR VOLUMES


Valence and extra-valence orbitals in ma
✍ C. R. Landis; F. Weinhold 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 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