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层间距是层状双金属氢氧化物类材料的重要性质。可控合成具有特定层间距的层状双金属氢氧化物材料是一个有意义的材料设计研究课题。在本工作中,采用相关向量机建立了预报层状双金属氢氧化物层间距的QSPR 模型。通过遗传算法进行变量筛选后,7 个原子参数被用来进行建模。
基于相关向量机的层状双金属氢氧化物层间距可控合成
【摘 要】
：
层间距是层状双金属氢氧化物类材料的重要性质。可控合成具有特定层间距的层状双金属氢氧化物材料是一个有意义的材料设计研究课题。在本工作中,采用相关向量机建立了预
【机 构】
：
上海大学理学院化学系,上海,200444上海大学材料科学与工程学院,上海,200444
【出 处】
：
第十三届全国计算机化学学会会议
【发表日期】
：
2015年11期
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