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
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。
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。
QSPR research of thermodynamic properties of polychlorinated biphenyl;
多氯联苯热力学性质的构效关系
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
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
New method of study on thermodynamical properties in Mn-Fe-P-C system;
研究Mn-Fe-P-C系热力学性质的新方法
Relations between thermodynamical properties in Mn-Fe alloy melt and temperature;
Mn-Fe熔体热力学性质与温度的关系
Study on relations between thermodynamical properties in Mn -based systems and temperature;
Mn基体系热力学性质与温度关系的研究
Thermodynamics of Mn-based Mn-Fe-P-C Systems;
锰基Mn-Fe-P-C系热力学性质
Studying the thermodynamics of ZnCl_2 in mixed solvent (ethanol and water)
ZnCl_2在混合溶剂(乙醇-水)中的热力学性质
The thermodynamics of electrolyte solution at high temperature and high pressure is important not only in the research of earth fluid, but also in the application of industrial process.
高温高压下电解质溶液热力学性质的研究不仅对探讨地球内部流体的作用具有重要意义 ,而且在很多实际工业过程中也都有广泛应用。
A computer simulation study on structure and thermodynamic property of KNO_3 electrolyte solution;
硝酸钾电解质溶液的结构和热力学性质的计算机分子模拟
The mechanism and thermodynamic property of the p-tert-butylcalix[4]-arene acetate(hydrolisis of cup [4]) extraction of Cr3+ from nitric acid system were reported.
报道了以对叔丁基杯[4]芳烃乙酸(简称杯[4]水解)为萃取剂,从硝酸体系中萃取Cr3+的反应机理及反应热力学性质。
All other thermodynamic property expressions are derived from helmholtz energy with respect to temperature or density or both of them.
在此基础上,推导了基于Helmholtz能形式基本状态方程的各热力学性质表达式。
Investigation on thermodynamic properties of hightemperature heat transfer agent(Dowtherm)
高温载热体—导热姆热力学性质的研究
Calorimetry and Thermal Analysis Studies on Thermodynamic Properties of Drugs;
药物热力学性质的量热学与热分析研究
Modeling of Aqueous Electrolyte Solution by Statistical Mechanic Theory;
用统计力学理论研究电解质溶液的热力学性质
Force field development and prediction of thermodynamic properties for alkenes
烯烃类分子的分子力学力场及热力学性质预测
Study on the Thermodynamic Properties of Microemulsion Formed in Supercritical Carbon Dioxide;
超临界CO_2微乳液的热力学性质研究
Systematic Study on the Thermodynamic Properties of the Rare Earth Vapor Complexes: KLnCl_4;
稀土气态配合物KLnCl_4热力学性质研究
Thermodynamic Study of System LiCl-LiNO_3-H_2O;
水盐体系LiCl-LiNO_3-H_2O的热力学性质研究
Calculation of Thermodynamic Properties of the Multicomponent Alloys with Miedema Theory;
合金热力学性质的Miedema理论计算
A Study on Thermodynamic Properties of Epitaxial Ba_xSr_(1-x)TiO_3 Thin Films;
外延Ba_xSr_（1-x）TiO_3薄膜热力学性质的研究
Thermodynamic Study of System LiCl-CaCl_2-H_2O;
LiCl-CaCl_2-H_2O体系的热力学性质研究
Thermodynamic properties in spin-Peierls chain;
自旋派尔斯链热力学性质研究(英文)
Theoretical Calculation for Thermodynamics Properties of CuO_2 plane;
CuO_2平面热力学性质的理论计算
Investigation of Thermodynamic Properties of SDBS Micellar System
SDBS胶束体系热力学性质的研究
The thermodynamic properties of two-dimensional Bose gas in the q distribution
q分布下二维玻色气体的热力学性质
Thermodynamic properties of binary alloys of Al-Er and Si-Er
Al-Er和Si-Er二元合金的热力学性质
Theoretical calculation of thermodynamic properties of polybrominated phenoxathiins
多溴代吩噁噻热力学性质的理论计算
Studying the thermodynamics of ZnCl_2 in mixed solvent (ethanol and water)
ZnCl_2在混合溶剂(乙醇-水)中的热力学性质
Effects of Isospin and Momentum-dependent Interactions on Thermal Properties of Nuclear Matter
核物质热力学性质的同位旋和动量相关性