LANL2DZLos Alamos National Laboratory 2-double-z (density functional theory)
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By theoretical analysis at the B3LYP/6-31G* level with the metal ions described by effective core potentials in the LANL2DZ valence basis set, the [Cu.
The 6-31++G basis set, which includes (d, p) polarized atomic orbitals, were used for light atom, while the LANL2DZ basis sets was used for metal atom, Pt.