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《Journal of Southwest China Normal University(Natural Science Edition)》 2006-01
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Study on the Mechanism for the CH_2+O_2 Reaction

ZHAI Qiao-ling,HUANG Hao,LV Wen-yang,LI MingSchool of Chemistry and Chemical Endimering,Southwest University,Chongqing 400715,China  
The reaction of CH_2 with O_2 was calculated by means of the DFT,MP2,and QCISD(T) methods at the 6-311++G(3df,3pd) level on the triplet-state potential energy surface.All the transition states were confirmed by the IRC calculation and the vibration analysis.The reaction mechanism were determined.
【Fund】: 重庆市自然科学基金资助(20027473)
【CateGory Index】: O643.12
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【References】
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1 ZHENG Tian-long,LI An-yong,WANG Su-wen,MIAO Shu-qingSchool of Chemistry and Chemical Engineering,Southwestern University,Chongqing 400715,China;Theoretical Study on the Reaction Mechanism of SiH_3 with NO[J];Journal of Southwest University(Natural Science Edition);2008-01
【Citations】
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【Co-citations】
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1 Shu Yafei, Fang Decai (Department of Chemistry, Beijing Normal University, 100875, Beijing, China);THEORETICAL CALCULATION ON POTENTIAL SURFACE AND RATE CONSTANT FOR THE REACTION BETWEEN CH_2(~3B_1) AND NO[J];Journal of Beijing Normal University(Natural Science);2002-01
2 PAN Xiu_mei, SUN Hao, SU Zhong_min, DUAN Xue_mei, WANG Rong_shun (Institute of Functional Material Chemistry, Faculty of Chemistry, Northeast Normal University, Changchun 130024);Theoretical study on the reaction between CH_2 and NO[J];Journal of Northeast Normal University (Natural Science Edition);2001-03
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5 ZHANG Wei-chao, DU Ben-ni (Department of Chemistry,Xuzhou Normal University,Xuzhou,Jiangsu,221116,China);Theoretical Investigation on the Reaction Mechanism of CH_2 with NO[J];Journal of Xuzhou Normal University(Natural Science Edition);2004-01
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