Potential energy curves for ScH

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Abstract
Using the generalized valence bond model (GVB), potential energy curves for the 1,3 Sigma , 1,3 Pi , 1,3 Delta states of ScH are presented. All states are bonding with at most a weak barrier and the 3 Delta is the lowest energy state. The bonding is primarily to the 4s2 state of Sc. These results are contrasted to like studies of H on Fe, Ni, Mn and Cu. The implications of this study to hydrocarbon catalysis by first-row transition metal catalysts are explored.