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- W2038362893 abstract "The potential energy surface of the system Li4(rhombic) + H2 is investigated by means of ab initio SCF CI calculations. The activation of the molecular hydrogen is described in terms of variation in the occupation numbers of its δu and δg MO's along the reaction coordinate. The effect of the cluster is that of reducing the HH bonding interaction, even at relatively small HH distances." @default.
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- W2038362893 title "The electronic structure of small metallic clusters Part V: A SCF CI calculation of the interaction of molecular hydrogen with a Li4 cluster" @default.
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- W2038362893 doi "https://doi.org/10.1016/0304-5102(81)85084-5" @default.
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