生成焓

计算并讨论了TATB的生成焓。

The enthalpy of formation for TATB is calculated and discussed .

还对循环圈中各个反应的反应能，生成焓，相对吉布斯自由能做了计算，计算结果相互协调都说明了Cl-ClO催化循环圈破坏臭氧机理的正确性。

The reactional energy , the enthalpy of formation , and relative Gibbs free energy of the reactions in the Cl-ClO catalytic cycle are calculated exactly , and provided thermodynamics quantities for the reactions in the Cl-ClO catalytic cycle .

结构参数K与过渡元素卤化物标准生成焓的关系研究

Studies on the relationship between structural parameter K and standard enthalpy of formation for transitional element halide

Cs2CuCl4标准生成焓的热化学研究

Thermochemistry studies on standard enthalpy of formation of cs_2cucl_4

本文定义了一个新的拓扑指数F1，并用F1研究了ABn型分子的标准生成焓、晶格焓、反应截面等性质。

A new topological index F1 was defined in this paper . The F1 of ABn molecules were calculated .

结构参数F与部分气态化合物标准生成焓的相关性研究

Studies on the Relationship between Structural Parameter F and △ _f ( H_m ) ~ Φ of Some Gaseous Compounds

键参数拓扑指数与金属卤化物的标准生成焓△fH的相关性研究

Research on correlation between chemical bond parameter topological index and standard heat of formation of metal halide

共价化合物的热力学性质与结构的关系（Ⅸ）&R（CH2）nR的气相标准生成焓

RELATIONSHIP BETWEEN THERMODYNAMIC PROPERTIES AND STRUCTURE OF COVALENT COMPOUNDS (ⅸ) & The Standard Enthalpy of Formation of Normal and Iso-Paraffins seres

对中间化合物（Cu2OCl2）的物理性质，进行了某些探讨，并计算了中间化合物卽氯氧化铜在所研究的温度范围内的平均生成焓约为-84900卡/克分子；

The physical properties of the intermediate compounds have been studied , and within the given temperature range , the average enthalpy of formation of the intermediate compound Cu_2OCl_2 is found to be - 84900 cal . / mole ;

这些数据包括在298.15K时的恒压摩尔热容、摩尔熵、摩尔生成焓和摩尔生成吉布斯自由能。

The data include heat capacities , entropies , enthalpies of formation and Gibbs free energies of formation at298.15 K.

借助于电负性均衡原理，计算一价金属卤化物各原子的电荷，在此基础上建立一个新的参数W，研究了34种一价金属卤化物的标准生成焓与W的关系，结果令人满意。

The atoms electric charge of one-valence-halide is calculated by means of the principle of electronegativity equalization . Based on them , a new structural parameter W is defined . it is found that the linear relationship between standard molar enthalpy of 34 one-valence-metal-halid and structural parameter W is satisfactory .

对Fe-C-Ti体系SHS过程中绝热温度和反应生成焓的计算可知Fe含量宜选在30%左右，且TiC也是Fe-C-Ti体系中最稳定的热力学生成相；

By calculating the adiabatic temperature and free enthalpy of Fe-C-Ti system , it shows that the content of Fe should be suitable at 30 % and TiC is also the stable thermodynamical phase of Fe-C-Ti system .

讨论它们的几何构型、HOMO-LUMO能隙、生成焓、核独立化学位移（NICS）和自由能。

The geometries , energy gap of HOMO-LUMO , the heats of formation , nu - cleus independent chemical shifts ( NICS ) and free energy were discussed at the same time .

结果表明，在Mg-Ni-M系三元合金体系中，元素的电负性差越大，电子浓度越小，合金的生成焓越负，合金氢化物越稳定。

The results show that larger electro negativity difference and lower electron concentration tend to make the enthalpy of formation lower , and the hydrides more stable for Mg-Ni-M system .

用路径指数预测吡啶衍生物的标准生成焓

Predicting the Standard Formation Enthalpy of Pyridine Derivatives with Path Indices

新型分子筛的生成焓计算

The Calculations for the Enthalpy of Formation of Novel Molecular Sieves

乙酰吡唑啉酮双席夫碱标准摩尔生成焓的测定

Determination of Standard Enthalpy of Formation of the Acetyl-pyrazolone Schiff Base

利用标准生成焓由相图提取活度

Calculation Activities from Binary Phase Diagrams Using the Standard Enthalpy of Formation

颗粒的大小取决于体系的摩尔生成焓，摩尔生成焓越大，颗粒长大越显著；

The molar formation enthalpy of the system determines the particle size .

用拓扑方法研究烷烃的标准生成焓

Study on Paraffin Standard Enthalpy of Formation by Topological Theory

关于离子的生成焓自由能及熵

On Ion 's Formation Enthalpy , Free Energy and Entropy

溶解量热法测三氧化钼标准生成焓

The Standard Enthalpy of Formation of Molybdenum Trioxide Determined by Solution Calorimetry

三硝基甲烷键离解能和生成焓的理论计算

Theoretical calculation of bond dissociation energy and enthalpy of formation for trinitromethane

水溶液中离子的绝对标准生成焓

Ionic absolute standard heat of formation in aqueous solution

2-氨基嘧啶标准摩尔生成焓的测定

Determination of Standard Enthalpy of Formation of 2-Aminopyrimidine

一个用于预测化合物生成焓的新结构参数

A New Structural Parameter Used for Estimating Standard Molar Enthalpy of Formation of Compounds

碳酸盐标准生成焓的计算

Estimation of the Standard Formation Enthalpy of Carbonates

基团加和法估算含能热塑性聚氨酯弹性体的生成焓

Estimation of Enthalpy of Formation for Energetic Thermoplastic Polyurethane Elastomers by Group Additivity Method

拓扑指数~mG与卤化物的晶格能和标准生成焓的关系

Relationship Between Topological Index ~ mG and Lattice Energy or Standard Enthalpy of Formation

本文将给出水溶液中离子的绝对标准生成焓。

In this paper , the ionic absolute standard heat of formation is gotten .