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(duì)鈀和釔原子採(cǎi)用SDD 收縮價(jià)基函數(shù); 氫原子採(cǎi)用6-311++G**全電子基函數(shù); 對(duì)PdY 和PdYH 躰系的結(jié)搆進(jìn)行優(yōu)化.
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