Chem. J. Chinese Universities ›› 1988, Vol. 9 ›› Issue (3): 255.
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Li Xuekui, Sun Chiachung
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Abstract: In this paper, trans-isomerization of thioformaldehyde is studied by means of intrinsic reaction coordinate (IRC) method.The theoretical results of transition state and the normal coordinates are presented.The geometry optimization of the reactant, the transition state and the tracing of IRChave been performed by using the energy-gradient method with the split-valence 4-31G basis set
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Li Xuekui, Sun Chiachung . Intrinsic Reaction Coordinate Method in Chemistry Reaction (Ⅲ)——IRC Approach to Trans-lsomerization of Thioformaldehyde[J]. Chem. J. Chinese Universities, 1988, 9(3): 255.
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http://www.cjcu.jlu.edu.cn/EN/Y1988/V9/I3/255
