Molecular modeling, FTIR spectral characterization and mechanical properties of carbonated-hydroxyapatite prepared by mechanochemical synthesis

Published 2017 View Full Article

Authors

Keywords

Mechanochemical synthesis, Mechanical properties, FTIR spectroscopy, PM6, HF/3-21g**, B3LYP/6-31G(d,p), B3LYP/LANL2DZ and carbonate substituted hydroxyapatite

Journal

MATERIALS CHEMISTRY AND PHYSICS

Volume 190, Issue -, Pages 209-218

Publisher

Elsevier BV

Online

2017-01-07

DOI

10.1016/j.matchemphys.2017.01.004

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