Density Functional Method （DFT） B3LYP was performed to study the isomeration mechanism of HNO2 at the 6-31++G**basis sets and at the same time the potential energy curves were tracked. The geometric configurations o...Density Functional Method （DFT） B3LYP was performed to study the isomeration mechanism of HNO2 at the 6-31++G**basis sets and at the same time the potential energy curves were tracked. The geometric configurations of reactants, intermediates, transition states and products were optimized at B3LYP/6-31++G** level and the energies were calculated by using QCISD（T）/6-31++G** method. The results show that the most stabilized geometry structure is trans-HONO（M2） and the secondary stable geometric structure is HNO （O）.For other isomers, HNO（O）、HNOO and HO（O）N, are also characterized with a strong stability. In certain conditions, isomerization between all the isomers can be performed.展开更多
为了提高头孢菌素 C 的产量,通过对头孢菌素 C 产生菌顶头孢霉菌 B42—V2进行紫外线和亚硝酸的复合诱变处理,得到变株 B42—V2N,单位提高10.04%,且遗传性状非常稳定。实验表明:紫外线和亚硝酸复合诱变,操作简便、安全高效,所选育菌种遗...为了提高头孢菌素 C 的产量,通过对头孢菌素 C 产生菌顶头孢霉菌 B42—V2进行紫外线和亚硝酸的复合诱变处理,得到变株 B42—V2N,单位提高10.04%,且遗传性状非常稳定。实验表明:紫外线和亚硝酸复合诱变,操作简便、安全高效,所选育菌种遗传性状稳定。展开更多
文摘Density Functional Method （DFT） B3LYP was performed to study the isomeration mechanism of HNO2 at the 6-31++G**basis sets and at the same time the potential energy curves were tracked. The geometric configurations of reactants, intermediates, transition states and products were optimized at B3LYP/6-31++G** level and the energies were calculated by using QCISD（T）/6-31++G** method. The results show that the most stabilized geometry structure is trans-HONO（M2） and the secondary stable geometric structure is HNO （O）.For other isomers, HNO（O）、HNOO and HO（O）N, are also characterized with a strong stability. In certain conditions, isomerization between all the isomers can be performed.
