quantum chemistry calculation的意思|示意
量子化学计算
quantum chemistry calculation的网络常见释义
量子化学计算 对甲基苯甲酸抑制剂对铝酸钠溶液种分过程的 关键字: 对甲基苯甲酸；结晶习性；量子化学计算[gap=1143]Key words: p-toluic acid; crystal structure; quantum chemistry calculation
量化计算 quantum chemistry calculation 量子化学计算 ; 量化计算 ; 量子化学 ..
量子化学 quantum chemistry calculation 量子化学计算 ; 量化计算 ; 量子化学 ..
quantum chemistry calculation相关短语
1、 quantum chemistry calculation method 量化计算方法
2、 semi empirical quantum chemistry calculation 半经验量子化学计算
3、 quantum-chemistry calculation 量子化学计算
quantum chemistry calculation相关例句
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 density of state is calculated by the calculating method of quantum chemistry, and the result of calculation is compared with the result of XPS.
用量子化学计算方法计算了样品的电子态密度。并将计算结果与XPS测试结果作比较。
The structure antioxidation relationship of typical flavonoid antioxidants is investigated by means of structural chemistry and the semiempirical calculation method of quantum chemistry.
用结构化学和量子化学半经验计算方法研究几种典型黄酮类化合物，探讨影响黄酮类化合物抗氧化活性的结构因素。
The properties of ADPA were calculated by the method of quantum chemistry calculation and the microcosmic mechanism of non-linear optics properties of ADPA was explained.
为了揭示adpa的非线性光学性质的微观机理，我们还应用量子化学计算方法进行了初步的理论研究。
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。
Firstly, for each reaction system, all molecular geometries were fully optimized on respective ground state and the lowest excited state PESs by high-level quantum chemistry calculation methods.
首先，采用高精度计算基组，对不同反应路径在不同自旋态势能面上的各驻点的几何构型进行了优化。