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, tricalcium phospha...
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| Datum: | 2006 |
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| Hauptverfasser: | , , , |
| Format: | Artikel |
| Sprache: | English |
| Veröffentlicht: |
Інститут фізики конденсованих систем НАН України
2006
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| Schriftenreihe: | Condensed Matter Physics |
| Online Zugang: | http://dspace.nbuv.gov.ua/handle/123456789/121443 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Zitieren: | 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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