Fit of the potential energy surface for the reaction Ne+H2+→NeH++H using three different functional forms

Pendergast, Phil; Heck, John M.; Hayes, Edward F.; Jaquet, Ralph
March 1993
Journal of Chemical Physics;3/15/1993, Vol. 98 Issue 6, p4543
Academic Journal
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.


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