critical pH

Moreover,a measurement named CP index is suggested to measure the performance of backbone network,which could tradeoff between the scale of networks and centrality distance.

同时提出了一个骨干网性能的度量指标——CP值,实验表明该指标能较好地权衡骨干网规模和中心性等度量因素。

MP2/6-311++G ** were applied to discussing the effects of the counterpoise-corrected gradient procedure on the interaction energies and the geometries of dimers constituted by the two isomers of hydroxydiimide.

采用从头算MP2方法在 6 311++G 基组水平上讨论了CP梯度校正对两种羟基二酰亚胺异构体所组成的二聚体的相互作用能和几何结构的影响 ,并利用分子中的原子理论 (Atomsinmolecules ,AIM)计算了五个拓扑参数 :键临界点的电荷密度、电荷密度的Laplacian值、氢键中氢原子的体积、氢原子集居数、氢原子能量来表征氢键的形成 。