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Ann Neurol 23: 251257, 1988

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C.01, Wallingford, CT, 2016) The metal atom was described using the Los Alamos (LANL2) effective core potential with the corresponding triple-zeta basis set while all other atoms were described with the Pople double-zeta basis set with a single set of polarization functions on non-hydrogen atoms (6-31 G(d))