semiempirical是什么意思

2024-02-08 10:06:16

semiempirical

美[semɪempɪrɪkəl] 英[semɪempɪrɪkəl]

adj. 半经验的(半实验性质的)

Adjective

The MNDO semiempirical quantum chemistry method was used to study theconformation of diphenyl sulfide and diphenyl sulfoxide. 本文使用MNDO半经验量子化学方法对二苯硫醚和二苯亚砜的构象进行研究。
HOMO and LUMO energy have been calculated by the methods of semiempirical quantum chemistry AM 1 and PM3. 并用半经验量子化学方法AM1,PM3对分子轨道的能量进行了计算和讨论，研究了电子转移机理。
The relationship between bond valence and bond covalency has been investigated by a semiempirical method. 用一种半经验方法研究了固体材料中键电荷与键共价性的关系。
Semiempirical MNDO ealculations were performed in order to study theformhydroxamic acid-formhydroximic acid tautomerism. 应用半经验MNDO方法研究了甲异羟肟酸与甲羟肟酸的互变异构平衡。
In the early research, the empirical or semiempirical formulae of the ROP are derived from the laboratory or field data collected by the researchers. 以前,研究者们常根据现场数据或试验数据,用统计拟合分析方法得出机械钻速的经验或半经验关系式。
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。