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On Closed-Shell Interactions, Polar Covalences, d Shell Holes, and Direct Images of Orbitals: The Case of Cuprite

✍ Scribed by J. M. Zuo; M. O'Keeffe; M. Kim; J. C. H. Spence

Publisher: John Wiley and Sons
Year: 2000
Tongue: English
Weight: 87 KB
Volume: 39
Category: Article
ISSN: 0044-8249
DOI: 10.1002/1521-3773(20001103)39:21<3791::aid-anie3791>3.0.co;2-7

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## Abstract A series of LCAO‐MO‐SCF calculations, using various basis sets of Gaussian‐type functions, has been made in order to study the effects of __p__, __d__, and __f__ polarization functions for a 10‐electron isoelectronic series of oxygen hydrides and for an 18‐electron isoelectronic series