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[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
[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...
[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...
[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...
[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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