Theoretical Elucidation of the Force Field Selection of Hydroxyapatite in Biological System

来源 :第十三届全国量子化学会议 | 被引量 : 0次 | 上传用户:sandland
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  Hydroxyapatite,HAP [Ca10(PO4)6(OH)2],is the main inorganic constituent of human skeletal tissue.In the aspect of biological materials applications,both bulk and surface structures and properties are important,and there have lots of known force field parameters of hydroxyapatite,such as Born–Mayer–Huggins,Buckingham and INTERFACE Force Field.
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