The molecular orbital coefficients are determined by means of a semiempirical method in the calculation.
计算中，用半经验方法确定了分子轨道系数。
This paper also presented a semiempirical relationship of dipolar layer capacitance and coupling capacitance.
还给出了偶极层电容和电极问射频耦合电容半经验公式。
Experimental investigations show that the semiempirical concavity calculation formulation given here are practical.
提出的计算凹度的半经验公式，经过实践考验证明具有一定的实用价值。
The penetration predicted by this model is fairly close to the result calculated by Hiroyasu's semiempirical formula.
由此模型算得的穿透距离与広安博之半实验公式的计算结果相当接近。
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。
Building codes treat these effects as static phenomena and relate them to the actual conditions through semiempirical equations.
建筑法规处理这些影响静态现象，并涉及他们的实际情况，通过半经验方程。
A semiempirical inverse equation was used to characterize the HTC-air gap relation across the whole stages for experimental data from literature.
通过分析文献实验数据得出了在整个凝固过程中传热系数与空气隙成反比的半经验耦合表达式。
Results of calculation have been compared with experimental data of two kinds of DB propellants and the semiempirical theory has proved to be correct.
理论计算的结果同两种双基推进剂的实验数据对照，证明理论分析是正确的。
Semiempirical calculations at the MNDO level were performed on nitroaromatic compounds to obtain fully optimized geometries and electronic structures.
对硝基芳烃类衍生物进行半经验分析轨道MNDO计算，求得全优化几何构型和电子结构。
In this paper, an effective method of simulating the distributions of climatic elements in mountainous areas by using semiempirical theory is presented.
本文提出了使用半经验半理论方法对山区各气候要素的空间分布进行数学模拟的有效方法。
The electronic structures of 10 kinds of D-form and L-form amino acids have been investigated by employing AM1 semiempirical quantum chemical method firstly.
首次采用AM1半经验量子化学计算方法研究了10种D型和L型氨基酸的电子结构。
A semiempirical inverse equation was used to characterize the HTC air gap relation across the whole stages through the analysis of the experimental data of the literatures.
通过分析文献实验数据，得出了在整个凝固过程中热传递系数与空气隙成反比的半经验耦合表达式。
We propose the coupled-cluster equation of motion method coupled with semiempirical Hamiltonian to calculate the multi-photon absorption cross-section for complex molecular systems.
我们提出了用耦合簇运动方程方法并结合半经验哈密顿参数来计算大分子体系的多光子吸收截面。
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 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。
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