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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| Veröffentlicht in: | Condensed Matter Physics |
|---|---|
| Datum: | 2006 |
| Hauptverfasser: | , , , |
| Format: | Artikel |
| Sprache: | Englisch |
| Veröffentlicht: |
Інститут фізики конденсованих систем НАН України
2006
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| Online Zugang: | https://nasplib.isofts.kiev.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. |