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SCF LCAO MO calculations for the iso-electronic series ClO4−, SO42−, and PO43−

✍ Scribed by Helge Johansen


Book ID
104791773
Publisher
Springer
Year
1974
Tongue
English
Weight
281 KB
Volume
32
Category
Article
ISSN
1432-2234

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📜 SIMILAR VOLUMES


Semi-quantitative and semi-empirical ver
✍ I. B. Bersuker; S. S. Budnikov; B. A. Leizerov 📂 Article 📅 1977 🏛 John Wiley and Sons 🌐 English ⚖ 694 KB

## Abstract Quasi‐relativistic (QR) versions of the CNDO and Mulliken–Wolfsberg–Helmholz (MWH) semiempirical methods based on the SCF‐QR‐MO‐LCAO method given earlier are worked out. For the CNDO method only the basic formulas and matrix element expressions are given, while for the MWH one, the para