Quantum Chemical Calculation的意思|示意
量子化学计算
Quantum Chemical Calculation的网络常见释义
叠氮基 ...cture;thermal stability; 锰配合物;叠氮基团;晶体结构;热性能; Keywords tetrazine;azide group;quantum chemical calculation;heat of formation; 四嗪;叠氮基;量化计算;生成热;
Quantum Chemical Calculation相关短语
1、 quantum chemical calculation am 量子化学计算
2、 PM3 quantum chemical calculation PM3量子化学计算
3、 quantum chemical calculation method 量子化学计算方法
Quantum Chemical Calculation相关例句
The surface oxidation of galena and the micro-process of electron transfer involved in the oxidation have been stu died through voltammetry and quantum chemical calculation.
伏安曲线和量子化学计算分别用来研究方铅矿表面的阳极氧化和氧化过程中电子转移的微观机制。
In this paper AM1 semiempirical quantum chemical calculation was used to study the motion of phenyl rings in PEEK chains.
本文使用AM 1半经验量子化学计算研究了苯环在PEEK链内的运动。
The chemical structure of YL-2, YL-12, YL-3 and YL-11, some of the Thiohydantion Derivatives, antibody of Enkephalinase, were simulated by the calculation of molecular mechanics and quantum chemistry.
采用分子力学和量子化学方法对某些作用于脑啡肽酶的硫乙内酰脲衍生物 （YL -2、YL -12、YL -3和YL -11）的化学结构进行了分子模拟和量化计算。
On the basis of quantum chemical calculation, the bond order, length and other structure parameters are further analyzed.
在量子化学计算基础上，进一步对其键级、键长等结构参数进行了分析。
The quantum chemical calculation verifies the validity of the above conclusion.
量子化学的计算证明了上述结论的正确性。
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。