CAJ | 학술논문

基于作者提出的诱导极性叠加原理，设计了包括与诱导极性叠加总量相关的能量项的烷烃异构体的标准生成焓估算的新方法.与前人方法比较，它具有较高的计算精度、较少的参数，各参数物理意义明确，而且理论上可以推广到含多种杂原子的衍生物的标准生成焓的计算.
기우작자제출적유도겁성첩가원리，설계료포괄여유도겁성첩가총량상관적능량항적완경이구체적표준생성함고산적신방법.여전인방법비교，타구유교고적계산정도、교소적삼수，각삼수물리의의명학，이차이론상가이추엄도함다충잡원자적연생물적표준생성함적계산.
Based on the principle of the sum of inductive polarity vectors proposed by us, we have designed a new method containing an energy term associated with the sum of inductive polarity vectors for the calculations of the standard enthalpies of formation. Compared with other methods, the new method has a higher calculation accuracy, it contains less calculation parameters,every term has a definite physical meaning. It can also be extended to calculate theoretically the standard enthalpies of fomation of alkane derivatives with some hetero atoms on a carbon atom.