Modeling the spectra of matrix-isolated molecules
| Autor: | Nemukhin, A. V., Grigorenko, B. L., Ozhegova, N. V. |
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| Zdroj: | Journal of Structural Chemistry; March 1997, Vol. 38 Issue: 2 p207-211, 5p |
| Abstrakt: | Modeling the properties of molecules isolated in low-temperature inert matrices is discussed in terms of cluster approaches. The analysis uses molecular dynamic and quantum chemical methods. Particular attention is paid to spectral features resulting from the matrix environment effects. |
| Databáze: | Supplemental Index |
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