结合鲍林键焓假设，提出了一种热力学估算方法，计算结果表明，该反应热力学上可能发生，且是一个放热反应。
With Pauling bond enthalpy, a thermodynamic estimation method was proposed. The calculation result shows that the reaction may occur on thermodynamics, and is an exothermic reaction.
结合实验和理论计算结果，估算了离子的标准生成焓和键解离能。
According to the experimental and calculation results, the enthalpies of formation of the ions and some bond energies have been evaluated.
用半经验的量子化学PM3方法研究了反应物和产物的电子结构，得到了产物的最优构型和电荷键序分布以及反应焓变。
The electronic structure of products and reactants were studied by molecular orbital PM3 method. The reaction enthalpies and optimized configuration for products were obtained.
在原子价电子层结构的基础上提出了原子结构半径和键参数的概念，并利用键参数研究碱金属卤化物晶格焓。
This article makes a detailed analysis of the definition of atomic radius and ionic radius, so that the two terms can be well understood and used in the course of teaching.
在原子价电子层结构的基础上提出了原子结构半径和键参数的概念，并利用键参数研究碱金属卤化物晶格焓。
This article makes a detailed analysis of the definition of atomic radius and ionic radius, so that the two terms can be well understood and used in the course of teaching.
应用推荐