体密度

Density functional theory calculations at the B3LYP/6-31G level of theory were employed to study the mechanism and the potential energy surface of Diels-Alder reactions between Lewis base stabilized borabenzene and dienophiles.

采用密度泛函理论方法在B3LYP/6-31G水平上研究了Lewis碱稳定的硼代苯与一些亲二烯体的两种可能的Diels-Alder反应的微观机理和势能剖面，并研究了反应的溶剂效应和取代基效应。

With Death guitarist Schuldiner adopting vocal duties, the band made a major impact on the scene.

随着死亡的吉他手Schuldiner接受主唱的职务，乐队在现实中树立了重要的影响。

But he could still end up breakfasting on Swiss-government issue muesli because all six are accused of nicking around 45 million pounds they should have paid to FIFA.

不过他最后仍有可能沦为瑞士政府&议事餐桌&上的一道早餐，因为这所有六个人都被指控把本应支付给国际足联的大约4500万英镑骗了个精光。