alexa Calcium phosphate clusters.
General Science

General Science

Journal of Biotechnology & Biomaterials

Author(s): Kanzaki N, Treboux G, Onuma K, Tsutsumi S, Ito A

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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.
This article was published in Biomaterials and referenced in Journal of Biotechnology & Biomaterials

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