Ni2+ Ion In Water
ABSTRACT Pair potential function of Ni2+-H20 system has been constructed by ab initio method at UHF (Unrestricted Hartre-Fock) level. The basis sets used for energy interaction calculation were LANL2 Double-C ECP of Hay and Wadt for Ni2+ and Double-4" Polarization of Dunning for H2O. Constructi...
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[Yogyakarta] : Universitas Gadjah Mada
2002
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