2.4.4 杂化密度泛函(Hybrid Density Functional) 45-46 2.5 平面波和赝势方法 46-48
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hybrid density functional theory 杂化密度泛函 ; 杂化密度泛函理论
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The cyclopropanation reaction of ethylene with samarium (II) carbenoid was studied by means of the B3LYP hybrid density functional method.
用密度泛函B3LYP方法研究了过渡金属钐类卡宾与乙烯的环丙烷化反应的机理。
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