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Solids Modeled by ab Initio Crystal-Field Methods. 12. Structure, Orientation, and Position of A-Type Carbonate in a Hydroxyapatite Lattice

✍ Scribed by Peeters, Anik; De Maeyer, Erna A. P.; Van Alsenoy, Christian; Verbeeck, Ronald M. H.


Book ID
124101476
Publisher
American Chemical Society
Year
1997
Tongue
English
Weight
105 KB
Volume
101
Category
Article
ISSN
0022-3654

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Solids modeled by ab initio crystal fiel
✍ Joris van Droogenbroeck; Ben Swerts; Lothar SchΓ€fer; Christian van Alsenoy πŸ“‚ Article πŸ“… 2004 πŸ› John Wiley and Sons 🌐 English βš– 160 KB πŸ‘ 1 views

## Abstract To eliminate the cutoff effects in the supermolecule model (SM), the Fock matrix transformed supermolecule model (FTSM) is developed. In this model a cyclization of the cluster is performed by means of transformations of elements of the Fock matrix, thereby restoring the translational s