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Showing 1 to 1 of 1 for “"small transition metal molecules"”.
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Calculations of small transition metal molecules relating to catalysis
… were performed for some first long period transition metal molecules including ScH, MnH, NiH, CuH, NiH2, and CuH2. Both ground state properties and potential energy curves were obtained. It was found that the transition metal 3d-orbitals do not participate significantly in the bonding of …