| Autor: |
Fermann, Justin T., Hoffman, Brian C. |
| Předmět: |
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| Zdroj: |
Journal of Chemical Physics; 3/22/1997, Vol. 106 Issue 12, p5102, 7p, 9 Diagrams, 6 Charts |
| Abstrakt: |
Determines the lowest energy isomer of the hydroxyperoxyl radical dimer H[sub 2]O[sub 4] using ab initio quantum mechanical methods. Prediction of the geometrical structures, relative energies, harmonic vibrational frequencies and associated infrared intensities of both open chain and cyclic isomers; Location of two minima on the open chain potential energy surface. |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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