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- W2050199454 abstract "The introduction of symmetry-adapted hybrid atomic orbitals on the metallic atoms allows us to divide the crystal into elementary cells which contain 8 valence electrons each. These cells are described by linear combinations of the halogen valence shell s and p orbitals and the hybrid orbitals of the nearest metallic atoms which point to the halogen. The electronic delocalization of the halogen ions is very weak (⩽0.02) for: LiF, NaF, KF, LiCl, NaCI, and KCI. The cell energy in the crystal is obtained by using a first-order perturbative treatment. In agreement with experiment, the f.c.c. type is found more stable than the b.c.c. or the blende type." @default.
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- W2050199454 date "1976-11-01" @default.
- W2050199454 modified "2023-10-17" @default.
- W2050199454 title "Halogénures Alcalins: Un Modèle Incluant une Délocalisation à Courte Distance Application à la Stabilité Relative des Divers Arrangements Cristallins" @default.
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- W2050199454 doi "https://doi.org/10.1002/qua.560100614" @default.
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