Cooperative influence of H2 and C2H4 molecules on theb-a anda-X transitions in the O2 molecule in a ternary complex
Autor: | N. M. Ivanova, I. V. Fedulova, B. F. Minaev, Z. M. Muldakhmetov, G. I. Kobzev |
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Rok vydání: | 2000 |
Předmět: | |
Zdroj: | Journal of Applied Spectroscopy. 67:617-622 |
ISSN: | 1573-8647 0021-9037 |
DOI: | 10.1007/bf02681294 |
Popis: | Moments of the b-a and a-X transitions induced in an oxygen molecule by collision in the O2 + C2H4 + H2 complex are calculated by the semiempirical MINDO/3 method with allowance for the spin-orbital interaction. On the basis of two collisional models it is shown that the cooperative influence of C2H4 and H2 molecules can be both enhancing and weakening as compared with their individual influence. Here, the relative location of the oxygen molecule and its surroundings plays an important role. |
Databáze: | OpenAIRE |
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