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[期刊论文] 作者:AI Chun-zhi YANG Ling, 来源:中国临床药理学与治疗学 年份:2007
[期刊论文] 作者:AI Chun-Zhi,SUN Ren-An,WANG Ch, 来源:结构化学 年份:2007
The mechanism and related reaction paths in the hydroisomerization of n-pentane were studied by DFT calculations at the B3LYP/6-311++G** level. Two possible tra...
[期刊论文] 作者:AI Chun-Zhi SUN Ren-An YAN Jie, 来源:结构化学 年份:2005
Eight species, HRgX (Rg = He, Ne, Ar, Kr; X = Cl, Br), are predicted to have bending transition states at B3PW91/AUG-cc-PVTZ level, leading to 2-body decomposit...
[期刊论文] 作者:AI Chun-Zhi,SUN Ren-An,WANG Ch, 来源:结构化学 年份:2004
The mechanism and related reaction paths in the hydroisomerization of n-pentane were studied by DFT calculations at the B3LYP/6-311++G** level. Two possible tra...
[期刊论文] 作者:SUN Ren-An,LI Na,AI Chun-Zhi,Z, 来源:结构化学 年份:2004
The reaction mechanism of SiCl4 with H2 has been studied theoretically using Gaussian 98 program at B3LYP/6-311G* level. Three different reaction paths (a, b, c...
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