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Ab initio modelling of calcium phosphate clusters and their vibrational spectra

Calcium phosphate and hydroxylcalcium phosphate clusters that model amorphous phase elementary unit cells as well as their vibrational spectra were calculated by ab initio quantum chemical method using GAMESS code. Normal coordinate analysis was accomplished for phosphate anion, tr...

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Bibliographic Details
Published in:	Condensed Matter Physics
Date:	2006
Main Authors:	Boldeskul, I.E., Sukhodub, L.F., Kalinkevich, A.N., Khavryutchenko, V.D.
Format:	Article
Language:	English
Published:	Інститут фізики конденсованих систем НАН України 2006
Online Access:	https://nasplib.isofts.kiev.ua/handle/123456789/121443
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Journal Title:	Digital Library of Periodicals of National Academy of Sciences of Ukraine
Cite this:	Ab initio modelling of calcium phosphate clusters and their vibrational spectra / I.E. Boldeskul, L.F. Sukhodub, A.N. Kalinkevich, V.D. Khavryutchenko // Condensed Matter Physics. — 2006. — Т. 9, № 4(48). — С. 669–679. — Бібліогр.: 15 назв. — англ.

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Digital Library of Periodicals of National Academy of Sciences of Ukraine

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