1) Tetrazole derivatives
四唑衍生物
1.
Theoretical calculations on the tautomerization of five tetrazole derivatives are performed with MNDO MO method.
运用MNDO MO法对五种四唑衍生物的互变异构反应进行了理论计算。
2.
Using Ab Initio Molecular Dynamics (AIMD) method and Density Functional Theory (DFT), we report the mechanisms of thermal decompositions of four kinds of tetrazole derivatives, which are 5-NO2-1-H-tetrazole, 5-NH2-1-H-tetrazole, 5-H-1-H-tetrazole and 5-N3-1-H- tetrazole.
本文结合从头计算分子动力学(ab initio molecular dynamics，AIMD)方法和量子化学的密度泛函理论(density functional theory，DFT)深入详细地研究了四种5-取代-1-H-四唑衍生物(5-NO_2-1-H-四唑，5-NH_2-1-H-四唑，5-H-1-H-四唑和5-N_3-1-H-四唑)分子的单分子热分解反应机理。
2) tetrazole derivatives
四氮唑衍生物
1.
Using microwave irradiation method four 5-substitued tetrazole derivatives were prepared in 30 minutes,and the optimum reaction condition was obtained.
研究了将氰化物与叠氮化合物在微波辐射条件下反应,得到5-取代四氮唑合成了4个5-芳香取代的四氮唑衍生物,所得产物经IR,NMR鉴定。
2.
Tetrazole derivatives have been extensively used in medicine, and the classic synthetic method needs tens hours at least, and some even to the extent that reach several days.
本文研究了将氰化物与叠氮化合物在微波辐射条件下反应,得到5-取代四氮唑的具体反应条件,合成了四个5-芳香取代的四氮唑衍生物,所得产物经IR,NMR鉴定。
3) nitramino derivatives of tetrazole
硝氨四唑衍生物
1.
The fully optimized geometries and electronic structures of seven nitramino derivatives of tetrazole are calculated by ab initio method at HF/6 - 31G* level.
运用从头计算法,在HF/6-31G水平下,全优化计算了7种硝氨四唑衍生物的分子几何和电子结构。
4) cyano derivatives of tetrazole
腈基四唑衍生物
1.
Full optimizations and single point SCF calculations for seven cyano derivatives of tetrazole are carried out at HF/6 31G * and MP2/6 31G *//H/6 31G * levels respectively.
运用从头计算法对７个腈基四唑衍生物进行了ＨＦ／６３１Ｇ水平的几何构型全优化和ＭＰ２／６３１Ｇ∥ＨＦ／６３１Ｇ水平的ＳＣＦ计算。
5) Derivatives of hydrazinotetrazole
肼基四唑衍生物
6) tetrahydrocarbazole derivative
四氢咔唑衍生物
1.
Study on preparation technology of tetrahydrocarbazole derivative
四氢咔唑衍生物的制备工艺
补充资料：四氮唑乙酸
分子式：C3H4N4O2
分子量：128.09
CAS号：21732-17-2
性质：白色结晶。熔点127-129℃。
制备方法：由甘氨酸、迭氮化钾和原甲酸三乙酯在冰醋酸中于80℃反应2h，环合制得四氮唑乙酸。
用途：用于抗菌素类药物先锋霉素的生产。
分子量：128.09
CAS号：21732-17-2
性质：白色结晶。熔点127-129℃。
制备方法：由甘氨酸、迭氮化钾和原甲酸三乙酯在冰醋酸中于80℃反应2h，环合制得四氮唑乙酸。
用途：用于抗菌素类药物先锋霉素的生产。
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