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1·Moreover, influence of basis set effect upon TDHF calculation is also discussed.

此外，还讨论了基组效应对含时耦合微扰计算的影响。

2·All the binding energies have been corrected by the basis set superposition error (BSSE) and zero point energies (ZPE).

在各基组下均进行基组叠加误差(BSSE)和零点能(ZPE)校正求得结合能。

3·Ab initio DFT/B3LYP calculations at 6—31G basis set level were carried out for the possible product radicals of guanine attacked by·OH.

采用密度泛函（DFT）理论中B3LYP方法在6— 31G基组水平上对鸟嘌呤（G）受羟基自由基进攻形成的各种可能产物自由基进行几何全优化。

4·For dissociation energy, zero point vibration energy (ZPVE) is calculated and basis set superposition error (BSSE) is corrected by counterpoise method.

解离能计算进行了零点振动能(ZPVE)校正，并运用完全均衡校正法对基函数重叠误差(BSSE)进行校正。

5·The basis set superposition error (BSSE) and zero point energies (ZPE) corrections are absolutely necessary for the interaction energies of the clusters.

对所有多聚体分子间相互作用能的计算，进行基组叠加误差（BSSE）和零点能（ZPE）校正都是必要的。

6·The intermolecular interaction energy is calculated with MP2 electron correlation correction, basis set superposition error (BSSE) correction and zero point energy (ZPE) correction.

经MP2电子相关和基组叠加误差（BSSE）以及零点能（ZPE）校正，求得分子间相互作用能；

7·Motor and pump connection in two ways, one motor and pump mounted on the bracket as a single entity, the second is the basis set by adding a separate motor axis connected with the shaft.

电机与泵的联接有两种方式，一是电机装在与泵体连为一体的支架上，二是电机单独设基础通过加长轴与泵轴联接。

8·The complexes were considered as supermolecules and calculated with DFT method at B3LYP/6-311G(d, p) level, and the basis set superposition error (BSSE) was corrected by the counterpoise method.

把复合物看作一个超分子，在B3LYP/ 6- 3 11G（d ，p）的水平上进行密度泛函法计算，并运用完全均衡校正法进行基组超位误差校正（BSSE） 。

9·A good parent-children relationship should be set up on the basis of mutual understanding and respect.

良好的亲子关系应该建立在相互理解和尊重的基础上。

10·Services will often be developed and maintained as a set, and using this as the basis for creating your domains will provide a logical flow of services from pre-production to production.

服务通常作为一个集合来开发和维护，将这一点作为创建您的域的基础，就能提供一个从生产前到生产阶段的逻辑服务流。