PdYH

常見例句

• 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.
  用密度泛函理論的B3LYP 方法; 對鈀和釔原子采用SDD 收縮價基函數; 氫原子采用6-311++G**全電子基函數; 對PdY 和PdYH 體系的結構進行優(yōu)化.
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