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运用模式识别的偏最小二乘法(PLS方法)研究了原子参数对晶体标准生成焓的影响,结果表明:对于AB型,AB2型晶体,在选择适当参数的情况下,可以运用PLS方法对其标准生成焓进行分析,通过分析得到的图形相应的坐标方程或者判据方程判断所选参数对标准生成焓的影响.
The PLS method was used to study the effect of atom parameters on the standard enthalpy of formation. The results show that for the AB and AB2 crystals, the PLS method can be used to select the appropriate parameters The enthalpy of formation is analyzed. The corresponding coordinate equation or criterion equation of the graph is analyzed to determine the effect of the selected parameter on the standard enthalpy of formation.