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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| Date: | 2006 |
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| Main Authors: | , , , |
| Format: | Article |
| Language: | English |
| Published: |
Інститут фізики конденсованих систем НАН України
2006
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| Series: | Condensed Matter Physics |
| Online Access: | http://dspace.nbuv.gov.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. |