Fit of the potential energy surface for the reaction Ne+H2+→NeH++H using three different functional forms.
| Autor: | Pendergast, Phil, Heck, John M., Hayes, Edward F., Jaquet, Ralph |
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| Zdroj: | Journal of Chemical Physics; 3/15/1993, Vol. 98 Issue 6, p4543, 5p |
| Abstrakt: | Three different functional forms are fit to a calculated coupled electron pair approach potential energy surface for the reaction Ne+H2+→NeH++H. Minimum energy pathways and stationary points of the various fits are discussed. [ABSTRACT FROM AUTHOR] |
| Databáze: | Complementary Index |
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