| Autor: |
Wesolowski, Steve S., Fermann, Justin T., Daniel Crawford, T., Schaefer III, Henry F. |
| Předmět: |
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| Zdroj: |
Journal of Chemical Physics; 5/1/1997, Vol. 106 Issue 17, p7178, 7p, 1 Diagram, 5 Charts |
| Abstrakt: |
Reports on ab initio studies of dinitrogen tetroxide to predict the equilibrium geometry, harmonic vibrational frequencies and fragmentation energy. Average absolute error of the harmonic vibrational frequencies; Fragmentation energy corrected for zero point vibrational energy and basis set superposition error. |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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