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Density functional theory study of mechanisms and regioselectivities of Ni-Catalyzed [2+2+2] couplin
[会议论文] 作者:Wei-Hua Mu,Shu-Ya Xia,
来源:The 15th ICQC International Congress of Quantum Chemistry(第1 年份:2015
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Density functional theory study of mechanisms and regioselectivities of Ni-Catalyzed [2+2+2] couplin
[会议论文] 作者:Wei-Hua Mu,Shu-Ya Xia,
来源:The 15th ICQC International Congress of Quantum Chemistry(第1 年份:2015
Density Functional Theory(DFT) calculations at IDSCRF-B3LYP/DGDZVP level have been performed to inverstigate the reaction mechanisms and regioselectivities of Nicatalyzed [2+2+2] cycloaddition reactio...
Estimation and Prediction of Bioconcentration Factors of Nonionic Organic Chemicals in Fish by Elect
[期刊论文] 作者:FENG Chang-Jun,YANG Wei-Hua,MU,
来源:结构化学 年份:2008
Based on the characteristics of atom types, Hall’s electrotopological state indices (En) are calculated for 165 nonionic organic compounds. On the basis of the...
Estimation and Prediction of Bioconcentration Factors of Nonionic Organic Chemicals in Fish by Elect
[期刊论文] 作者:FENG Chang-Jun,YANG Wei-Hua,MU,
来源:结构化学 年份:2004
Based on the characteristics of atom types, Hall's electrotopological state indices (En) are calculated for 165 nonionic organic compounds. On the basis of the...
Estimation and Prediction of Bioconcentration Factors of Nonionic Organic Compounds in Fish by lectr
[会议论文] 作者:FENG Chang-jun,YANG Wei-hua,MU Lai-long,
来源:中国化学会第五届全国结构化学学术会议 年份:2007
TMolecular electronegativity-distance vector (MEDV) was used to describe the molecular structures of 165 nonionic organic compounds in this paper.A quantitative linear relationship between 32 MEDV des...
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