Ab initio Investigation of Adsorption Characteristics of Bisphosphonates on Hydroxyapatite (001) Surface
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DOI: 10.1007/s10853-017-1880-1
Abstract: AbstractStructures of some bisphosphonates (clodronate, etidronate, pamidronate, alendronate, risedronate, zoledronate) were relaxed and analyzed by DFT method. By comparing their adsorption energies onto hydroxyapatite (001) surface with and without solvation effect and analyzing HOMOs (highest… read more here.
Keywords: adsorption; bisphosphonates hydroxyapatite; hydroxyapatite 001; 001 surface ... See more keywords