Methods Density functional ( B3LYP) method with Relativistic Effective Core Potential ( RECP) has been used to optimize the structures of PdH and PdH_2 molecules.

  • 方法采用数用相对论有效原子实势(RECP)和密度泛函(B3LYP)方法。

  • 互联网摘选 2025-01-20 12:49:18

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