方法采用数用相对论有效原子实势(RECP)和密度泛函(B3LYP)方法。
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。
Methods Density functional (B3LYP) method with Relativistic Effective Core Potential (RECP) has been used to optimize the structures of PdH and PdH_2 molecules.
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