Ions in crystal: the topology of the electron density in ironic materials. 4.the danburite (CaB (super 2) Si (super 2) O (super 8)case and the occurrence of oxide bond paths in crystals
Article Abstract:
The electronic density of danburite is obtained by mean of ab initio Perturbed Ion (aiPI) quantum mechanical calculations, which fully characterize its topological features, as required for the analysis of crystal bonding n the light of Bader's atom in molecules (AIM) theory. The theoretical results are compared and it states that each Band Si ion is bound to its four near oxide ions in a deformed tetrahedral disposition, whereas Ca is bounded to seven oxide ions.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2003
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Self-assembled films of Prussian blue and analogues: structure and morphology, elemental composition, film growth, and nanosieving of ions
Article Abstract:
The growth, structure, elemental composition, and iron transport behavior of ultrathin, self-assembled films of mixed valent metal hexacyanoferrat salts are described. The crystallite forms a dense homogenous film on the substrate with increase in the number of dipping cycles.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2003
User Contributions:
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