The cyclopropanation reaction of ethylene with samarium (II) carbenoid was studied by means of the B3LYP hybrid densityfunctionalmethod.
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。
2
DensityFunctional Theory is a very useful theoretical method to study this kind of materials.
而密度泛函理论就是一种很有效的研究纳米器件的理论方法。
3
Fitting orthogonal polynomial method for characterizing the functional relationship between the dry density and moisture content of earth-fill in standard compaction test is presented.