The electronic charge distribution in the molecule was also calculated by using CNDO/2 method.
我们还用CNDO/2方法计算了该化合物分子中电荷的分布。
The electric structures of double-chain of hydroxy polyacene were studied by quantum chemistry crystal orbital CNDO/ 2 method, and considered the hydrogen-binding interaction of hydroxy-polyacene.
采用量子化学晶体轨道CNDO／ 2 方法，在考虑了羟基代聚并苯氢键作用的基础上对其双链模型的电子结构进行系列的计算和讨论。
The quantum chemical CNDO/2 method is used for calculating the reduced model of xanthate adsorption onto the minerals of copper sulphide or oxide.
用量子化学的CNDO/2方法，计算了黄药与硫化铜矿物、 氧化铜矿物吸附体系简化模型。
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