1) key reaction
关键反应
1.
Based on the principle of chemometrics, the key reactions of the reaction system were analyzed and defined as the reaction between NDA and BTC to form NDI, the reaction between NDA and HCl to fo.
根据化学计量学原理确定了反应体系的关键反应为 NDA 与 BTC 合成 NDI 的反应, NDA与 HCl 生成 NDA盐酸盐的反应, NDA 和 NDI 生成脲的反应。
2) Consumer Complaint Response
关键字消费者抱怨反应
4) 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。
5) 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。
6) bond-selective reaction
选键反应
补充资料：反应素性变态反应
反应素性变态反应
见"I型变态反应"。
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