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Trends in Cyclopentadienyl—Main-Group-Metal Bonding.

✍ Scribed by Peter H. M. Budzelaar; Jeroen J. Engelberts; Joop H. van Lenthe


Publisher
John Wiley and Sons
Year
2003
Weight
4 KB
Volume
34
Category
Article
ISSN
0931-7597

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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