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 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。
6) thermodynamic properties
热力学性质
1.
QSPR research of thermodynamic properties of polychlorinated biphenyl;
多氯联苯热力学性质的构效关系
2.
Quantitative-structure property relationship between intrinsic frequencies with molecular structure vibrating and thermodynamic properties for alkannes;
分子结构振动固有频率与链烷烃热力学性质的定量关系
3.
First-principle lattice dynamics study on thermodynamic properties;
材料热力学性质的第一原理晶格振动计算研究
补充资料：热致死动力学
分子式：
CAS号：
性质：研究在热灭菌过程中微生物受热死亡速率与环境之间相互作用随时间变化的规律，最典型的公式即为对数残存关系。
CAS号：
性质：研究在热灭菌过程中微生物受热死亡速率与环境之间相互作用随时间变化的规律，最典型的公式即为对数残存关系。
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