1) carbonic acid and derivatives
碳酸及衍生物
1.
Considering the above facets, we start our systemic study decomposition of carbonic acid and derivatives in the sm
综合以上几点,在查阅文献的基础上,我们采用量子化学计算中的密度泛函B3LYP方法,对碳酸及衍生物在小分子(如H_2O、HF、CH_3OH等)作用下的分解反应展开了系统研究,研究工作的主要内容由以下几个方面组成:1、碳酸在小分子作用下分解反应的机理研究采用密度泛函理论(DFT)中的B3LYP方法,在6-311G**水平上,首先全参数优化气相中碳酸孤立分子、及其与小分子(H_2CO_3、2H_2CO_3、H_2O、2H_2O、HF、NH_3、CH_3OH)形成的复合物的构型,并优化产物复合物、过渡态构型,通过各构型振动频率的计算,对平衡构型和过渡态构型进行确证;通过内禀反应坐标(IRC)解析计算,确证过渡态与反应物和产物连接的正确性;最后,从活化能垒的角度对小分子的催化效能做出比较。
2) carbonic acid derivative
碳酸衍生物
3) fullerences and it's derivatives
球碳及其衍生物
5) sialic acid and it's derivatives
唾液酸及衍生物
6) benzoic acid and its derivants
苯甲酸及衍生物
补充资料：红没药(树胶)提取物及其物理改性衍生物--系一种可能含树脂酸及其酯,萜及其氧化产物或聚合产物的物质(裂榄科没药)
CAS：9000-78-6
中文名称：红没药(树胶)提取物及其物理改性衍生物--系一种可能含树脂酸及其酯,萜及其氧化产物或聚合产物的物质(裂榄科没药)
英文名称：Opopanax (gum) Extractives and their physically modified derivatives. It is a product which may contain resin acids and their esters, terpenes, and oxidation or polymerization products of these terpenes. (Commiphora, Burseraceae).
Opopanax(gum)Extractives and their physically modified derivatives. It is a product which may contain resin acids and their esters,terpenes,and oxidation or polymerization products of these terpenes.(Commiphora,Burseraceae).
中文名称：红没药(树胶)提取物及其物理改性衍生物--系一种可能含树脂酸及其酯,萜及其氧化产物或聚合产物的物质(裂榄科没药)
英文名称：Opopanax (gum) Extractives and their physically modified derivatives. It is a product which may contain resin acids and their esters, terpenes, and oxidation or polymerization products of these terpenes. (Commiphora, Burseraceae).
Opopanax(gum)Extractives and their physically modified derivatives. It is a product which may contain resin acids and their esters,terpenes,and oxidation or polymerization products of these terpenes.(Commiphora,Burseraceae).
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