| Literature DB >> 11561898 |
N Kanzaki1, G Treboux, K Onuma, S Tsutsumi, A Ito.
Abstract
The potential energy surfaces associated with [Ca3(PO4)2n clusters are analyzed in detail using ab initio calculations for n ranging from one to four. Considering separated clusters, energy criteria favor the so-called Posner's cluster Ca9(PO4)6, which is the core of the actual structural model of amorphous calcium phosphate. This is rationalized through the existence of a distinct CaO bonding pattern in this cluster. Considering aggregated clusters as a possible model for amorphous calcium phosphate, the aggregation of Ca3(PO4)2 clusters appears as an alternative to Posner's hypothesis.Entities:
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Year: 2001 PMID： 11561898 DOI： 10.1016/s0142-9612(01)00039-4
Source DB: PubMed Journal: Biomaterials ISSN： 0142-9612 Impact factor: 12.479