1) matching respones
对等反应
2) equivalence of response
反应对等
3) reader response equivalence
读者反应对等
5) isodesmic reaction
等键反应
1.
The heat of formation for LLM-105 and its analogues was calculated accurately by using density functional theory(DFT) and means of designed isodesmic reaction at B3LYP/6-311G* level.
利用密度泛函理论(DFT)方法结合等键反应设计,在B3LYP/6-311G*水平上对LLM-105及其类似物的生成热进行了计算,并结合分子的电子结构讨论了目标物的相对稳定性。
2.
The heat of formation (HOF) for a series of polynitroadamantanes was calculated systematically by using density functional theory (DFT) at B3LYP/6-31G * level by means of designed isodesmic reactions without breaking the adamantane skeleton ( i.
在密度泛函理论 (DFT)B3LYP/ 6 3 1G 水平下 ,通过不破裂金刚烷分子骨架 (即选择金刚烷作为参考物 )的等键反应设计 ,比较精确地计算了系列多硝基金刚烷的生成热 。
3.
The isodesmic reaction and nature bond orbital analyses for cycloocta -1,5- diene -3,7- diyne molecule have been obtained at the MP2/6 - 31G * level .
采用量子化学从头算方法研究了1,5-环辛二烯-3,7-二炔(C_8H_4)的结构和光谱性质,根据等键反应分析和自然键轨道方法研究了它的稳定性、成键情况和共轭性。
6) isodesmic reactions
等键反应
1.
The accurate HOFs for the title compounds are calculated by means of the designed isodesmic reactions at DFT-B3LYP/6-31G* level, and the adamantane skeleton has not been broken (i.
在DFT-B3LYP／6-31G~*水平下通过不破裂金刚烷分子骨架(即选择金刚烷作为参考物)的等键反应设计，计算了标题物的精确生成热，发现在四种半经验MO方法中以PM3方法与密度泛函理论方法求得的生成热较为吻合。
补充资料：对等
（等级、地位等）相等：双方应派～人员进行会谈。
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