Evaluation of the effectiveness of AM1 geometry used in calculating O-H bond dissociation enthalpy | |
Youmin Sun; Dezhan Chen; Chengbu Liu | |
刊名 | Journal of Molecular Structure. Theochem: Applications of Theoretical Chemistry to Organic, Inorganic and Biological Problems |
2002 | |
卷号 | 618期号:3页码:181-189 |
关键词 | O-H bond dissociation enthalpy phenolic compounds AM1 density functional theory |
DOI | 10.1016/S0166-1280(02)00523-7 |
URL标识 | 查看原文 |
内容类型 | 期刊论文 |
URI标识 | http://www.corc.org.cn/handle/1471x/6776286 |
专题 | 山东大学 |
作者单位 | Institute of Theoretical Chemistry, Shandong University, Jinan, Shandong 250100, China, Department of Chemistry, Shandong Teachers' Universit |
推荐引用方式 GB/T 7714 | Youmin Sun,Dezhan Chen,Chengbu Liu. Evaluation of the effectiveness of AM1 geometry used in calculating O-H bond dissociation enthalpy[J]. Journal of Molecular Structure. Theochem: Applications of Theoretical Chemistry to Organic, Inorganic and Biological Problems,2002,618(3):181-189. |
APA | Youmin Sun,Dezhan Chen,&Chengbu Liu.(2002).Evaluation of the effectiveness of AM1 geometry used in calculating O-H bond dissociation enthalpy.Journal of Molecular Structure. Theochem: Applications of Theoretical Chemistry to Organic, Inorganic and Biological Problems,618(3),181-189. |
MLA | Youmin Sun,et al."Evaluation of the effectiveness of AM1 geometry used in calculating O-H bond dissociation enthalpy".Journal of Molecular Structure. Theochem: Applications of Theoretical Chemistry to Organic, Inorganic and Biological Problems 618.3(2002):181-189. |
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