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Quantum Chemical Study on the Thermal Reaction of NO with C_2H_2

Wang Shen;Li Yonghong;Hong Sanguo (Department of Chemistry,Jiangxi Normal University,Nanchang 330027)  
UHF/AMl method has been to study the thermal reaction of NO with C2H2.The results show that the activation energies of the ratedetermining steps of the formation of CO and HCN as well as H,CO and HCN are 200.593 and 252.843 kJ.mol-1,respectively.
【Fund】: 江西省自然科学基金
【CateGory Index】: O615.5
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