Citation: Yun Zhu HAN, Qiu Chang ZHAO, Cheng Da ZHAO. THEORETICAL STUDIES ON THE REACTION MECHANISM OF AMMONIA WITH FORMALDEHY DE[J]. Chinese Chemical Letters, ;1990, 1(2): 101-104. shu

THEORETICAL STUDIES ON THE REACTION MECHANISM OF AMMONIA WITH FORMALDEHY DE

a Department of Chemistry, Liaocheng Teachers College, Liaocheng Shandong 252059;
b Department of Chemistry, Northeast Normal University, Changchun 130024

Received Date: 29 November 1989

Fund Project: This work was partly supported by the National Science Foundation of China. All the calculations were carried out at the Computer Center of Jilin Province using IBM-3031 computer.

The reaction mechanism of ammonia with formaldehyde was investigated by using the intrinsic reaction coordinate (IRC) method on the ab initio RHF/STO-3G basis set. our results indicate that the reaction proceeds in two stages:the first step yields the molecular complex and the second one is the rearrangement from molecular complex to the reaction proauct.
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