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- W2094443509 abstract "The ab initio potential energy surfaces pertinent to Zn(3P)+H2→ZnH(2Σ)+H have been calculated and are described. For thermal collisions, the dominant reactive surfaces is identified and a mechanism for the reaction on this surface, which may explain the rotational state populations in the ZnH products, is proposed. A novel dynamical technique of running classical simulations on ab initio surfaces, using a piecewise tessellation rather than a global functional fit, is briefly introduced with sample trajectories shown." @default.
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- W2094443509 date "1996-12-22" @default.
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- W2094443509 title "Potential energy surfaces and reactive dynamics of Zn(3<i>P</i>) with H2" @default.
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- W2094443509 doi "https://doi.org/10.1063/1.472862" @default.
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