PdYH

常见例句

• Density functional method (B3LYP) has been used to optimize the possible structures of PdY and PdYH molecules by contracted valence basis set (SDD) for Pd and Y atoms and the 6-311++G** basis set for H atom.
  用密度泛函理论的B3LYP 方法; 对钯和钇原子采用SDD 收缩价基函数; 氢原子采用6-311++G**全电子基函数; 对PdY 和PdYH 体系的结构进行优化.
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