An ab initio potential energy surface fo
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Martin A. Gittins; David M. Hirst
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Article
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1975
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Elsevier Science
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English
⚖ 220 KB
Preliminary results of ab initio unrcstiictcd Hnrtree-Fock calculations for the potential enerfiy surfact for the reaction N' + Hz + Nil+ + H ae reported. For the collinear approach of Nf to Hz, the 3 - x surface has no activation barrier and has a shallow well (n. 1 eV). For perpendicular approach