2) thermodynamic and kinetic properties
热力学和动力学性质
1.
Computational studies on thermodynamic and kinetic properties of the dehydrogenation reaction of singlet phosphinidene;
单重态磷烯脱氢反应的热力学和动力学性质计算的研究
2.
Based on the quantum chemical study of the reaction of F with O3, the statistical thermodynamics and Eyring transition state theory with Wigner correction are used to calculate the thermodynamic and kinetic properties of this reaction at the temperature range of (98.
15)K温度范围内活性F原子和臭氧O_3反应的热力学和动力学性质,给出了整个反应的热力学数据和各步反应的动力学数据。
3) thermodynamic and kinetic studies
热力学及动力学性质
1.
The thermodynamic and kinetic studies have been carried out on the reaction of singlet CCl2 and ozone O3 at 200K- 2000K, using statistic thermodynamics and Eyring transition state theory with Wigner correction on the basis of quantum chemistry.
在量化计算的基础上运用统计热力学和Wigner校正的Eyring过渡态理论研究了不同温度下单重态CCl_2和臭氧O_3反应的热力学及动力学性质。
5) thermodynamics and kinetics
热力学与动力学
1.
The effect of magnesium on thermodynamics and kinetics of oxidation of melted Al-Mg-Si alloy, the microstructure and properties of Al2O3/Al-Mg-Si composites were studied in this paper.
研究了镁对Al-Mg-Si合金熔体氧化热力学与动力学的作用,以及对Al2O3/Al-Mg-Si复合材料组织与性能的作用。
2.
Crystallization behavior of amorphous Mg65Cu25Y10 alloy is reviewed in this paper, including the effect of the charac-teristic of DSC curve, preparation condition and alloying on Crystallization behavior, and the thermodynamics and kinetics of crystalline forming.
综述了Mg65Cu25Y10非晶合金的晶化行为,包括DSC曲线的基本特征、制备状态和合金化对晶化行为的影响以及晶体相形成的热力学与动力学;有研究表明,旋淬Mg65Cu25Y10非晶条带的脆性可能是由于Mg2Cu金属问化合物的纳米颗粒弥散分布的结果。
6) thermodynamics properties
热力学性质
1.
Study on thermodynamics properties of Van de Waals nitrogen gas in low temperature
范德瓦尔斯氮气的低温热力学性质研究
2.
The vibrational frequencies,the IR spectra and the thermodynamics properties in different temperatures of the system were obtained on the basis of vibrational analysis, the relations of the effects of temperatures on thermodynamics properties were also obtained.
用B3LYP法,在6-31G(d,p)基组水平上计算4,6-双-(5-氨基-3-硝基-1,2,4-三唑-1-基)-5-硝基嘧啶(DANTNP)的性能,得其稳定的几何构型和键级;在振动分析的基础上求得体系的振动频率、IR谱及不同温度的热力学性质及温度对热力学性能影响的关系式。
3.
The vibrational frequencies,the IR spectra and the thermodynamics properties in different temperatures of the system were obtained on the basis of vibrational analysis,the relations of the effects of temperatures on thermodynamics properties were also obtained.
用B3LYP法,在6-31G(d,p)基组水平上计算二硝基吡唑并吡唑(DNPP)的性能,得其稳定的几何构型、分子轨道及键级;在振动分析的基础上求得体系的振动频率、IR谱及不同温度下的热力学性质,并得温度对热力学性能影响的关系式;用Monte-Carlo方法从理论上计算密度,运用Kamlet公式预测爆速。
补充资料：热力
1.由热能产生的作功的力。 2.热情的力量。
说明：补充资料仅用于学习参考，请勿用于其它任何用途。
参考词条