semi-empirical相关论文
研究了光源附近微区的漫反射率RΦ与收集孔径Φ、约化散射系数μ′s和散射相函数相关的参数γ之间的关系。根据不同的生物组织,选......
High-spin states in 141Nd have been studied using in-beam γ-ray spectroscopic techniques via the 130Te(16O, 5nγ)141Nd ......
本文建立了某发动机冷却系统AMESim计算模型,利用“HEAT semi-empirical coefficients”工具对发动机散热器进行匹配选型,在此基础......
该文从挂篮荷载计算、施工流程、支座及临时固结施工、挂篮安装及试验、合拢段施工、模板制作安装、钢筋安装、混凝土的浇筑及养生......
The diffusion coefficients of aqueous L-threonine solutions were determined from 298.15 K to 328.15 K by the metallic di......
Comparative Study among Different Semi-Empirical Models for Soil Salinity Prediction in an Arid Envi
Salt-affected soils, caused by natural or human activities, are a common environmental hazard in semi-arid and arid land......
A new semi-empirical formula for evaluating the residual strain of soils under earthquake loading is presentedin this pa......
半经验的自洽场分子轨道法（ＡＭ１）被用来研究激发单态（＾１ππ＾＊）和三态（＾３ππ＾＊）丙烯酸的脱羧反应。计算结果支持Ｒｏｂｅｒｔ等人提出的光解机理。与实验结合，进一......
The aim of this research is to map the salt-affected soil in an arid environment using an advanced semi-empirical predic......
The 2(1,0)n-1P°, 2(1,0)n +3P°, 2(0,1)n+1P°, and 2(0,1)n-3P° intershell Rydberg series of the helium-......
The material considered in this study, SnO2 (110), has a widespread use as gas sensor and oxygen vacancies are known to ......
目的:利用计算机辅助新药设计(Computer Aided Drug Design,CADD)技术中的受体图像法,对不同类型降血脂药物的化学结构及甘草次酸......
结合对蓖麻毒素A链（RTA）功能域氨基酸（Tyr80，Trr123，Gln177，Arg180）点突变后对其生物活性影响的实验研究，利用半经验量子化学AMI方法对RTA......
Experimental measurement and correlation of solubility ofβ-carotene in pure and ethanol-modified sub
For the first time,the solubility ofβ-carotene in pure and ethanol-modified subcritical water(SW)using the static metho......
Partial single and double differential cross sections with their sums through direct and dissociative ionization of PF3 ......
Diesel engines have proven over the years important in terms of efficiency and fuel consumption to power generation rati......
An improved semi-empirical friction model for gas-liquid two-phase flow in horizontal and near horiz
Pressure drop and liquid hold-up are two very important fluid flow parameters in design and control of multiphase flow p......
We report accurate wavelengths for the three most intense lines (resonance line: 1s2 1S0 - 1s2p 1P1, intercombination li......
随着计算机科学的发展,计算机速度的提高,一些新的方法越来越深入地运用到化学领域。本文运用量子化学的方法进行计算,提出了热力......
