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。
A set of automatic model about quality control was set up on this basis to perfect the quality control system and improve the level of automatic quality control.
在此基础上建立了一套完整的质量控制自动模式，以期完善质量控制体系，提高企业质量控制的自动化水平。
In the civil service, pay is usually set on a 'one size fits all' basis at a national level, whereas in the private sector pay is set in accordance with local Labour markets.
行政部门的薪酬通常按照国家标准采取‘一刀切’的政策，但在私营部门，薪水是根据当地的劳动力市场制定的。
The level set method was adopted to describing the structural topology and its change, and the compactly supported radial basis function was introduced to getting the parametric level set method.
采用水平集方法描述结构的拓扑及其变化，使用紧支径向基函数对计算区域的水平集进行插值以得到参数化的水平集方法。
A mathematical model for level adjustment on the finishing train is set up on the basis of analysis on the side camber and single edge wave of the hot rolled strip.
本文解析了热轧带钢侧弯及单边浪板形，在此基础上建立了精轧机组进行水平控制的数学模型。
The equipped bulb tubular turbine set has been applied to two level waterpower station of Zhenziling for the first time on the basis of performance analysis of homemade midget waterpower station.
榛子岭二级水电站，是利用我国研制的机组建成的第一座整装灯泡贯流式小型水电站。
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） 。
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） 。
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