For the structures of all the metal catons ( with the except Li+, Be2+) complexes, the relativistic effective core potentials ( RECP) LanL2DZ were used.

  • 所有的金属离子配合物又采用相对论有效芯势(RECP)LanL2DZ基组(除Li~+、Be~(2+)外)做了对照计算;

  • 互联网摘选 2025-01-20 12:49:18

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