On this basis, the electronic spectra have been calculated by a single-excitation configuration interaction(CIS) method. Tie calculated(results) are consistent with experimental values on the whole.
在此基础上采用单激发态组态相互作用（CIS）方法计算了它们的荧光激发波长及强度，所得结果与实验值变化趋势基本吻合。
The absorption spectrum by using CIS method of quantum chemistry calculation agrees with the experimental spectrum.
用量化计算中的CIS方法所得的吸收谱理论值与实验值吻合较好。
The absorption spectrum by using CIS method of quantum chemical calculation agrees with the experimental spectrum.
由量化计算中的CIS方法所获得的吸收谱理论值与实验值吻合较好。
The absorption spectrum by CIS method of quantum chemistry calculation agrees with the experimental spectrum.
由量化计算中的CIS方法所获得的吸收谱理论值与实验吻合地较好。
The complete force fields of the cis and trans isomers are determined by the method of determining force field combining model potential function method with MNDO method.
将模型势函法和MNDO方法结合起来，得到了顺、反甲酸分子的完整力场。
Based on such calculations, the single excited configuration interaction (CIS) method was performed to calculate the excited states related to absorptions.
以基态几何为基础，进行单激发组态相互作用(CIS)计算。
I used the AHP method to analyze the banking competitiveness of CEE four countries and CIS four countries, and explained the results.
用层次分析法对中东欧四国与独联体四国的银行竞争力进行了实证分析，并对实证分析结果进行了解释。
The invention relates to a sulfoacid rare earth catalyst for polymerizing high-cis-isoprene rubber and a preparation method thereof.
一种用于聚合高顺式异戊二烯橡胶的磺酸稀土催化剂，其特征在于该催化剂是由苯磺酸钕稀土配合物及烷基铝组成；
The invention relates to a sulfoacid rare earth catalyst for polymerizing high-cis-isoprene rubber and a preparation method thereof.
一种用于聚合高顺式异戊二烯橡胶的磺酸稀土催化剂，其特征在于该催化剂是由苯磺酸钕稀土配合物及烷基铝组成；
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