Abstract
Structure and infra-red spectra of Ca5(PO4) 3OHxH2O (where x 1-3) clusters were simulated by ab initio quantum chemical method. Evolution of the H-bonding character upon increase of water content and corresponding changes of the IR spectra in the v(H-O) vibrations region are discussed. © 2009 IOP Publishing Ltd.
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CITATION STYLE
APA
Khavryuchenko, V. D., Khavryuchenko, O. V., & Lisnyak, V. V. (2009). Quantum chemical study of water impact on the calcium hydroxyapatite. In Journal of Physics: Conference Series (Vol. 177). Institute of Physics Publishing. https://doi.org/10.1088/1742-6596/177/1/012005
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