Density functional theory study on the decomposition mechanisms of polynitrotriprismanes: C 6 H 6-n (NO 2 ) n (n = 2,4,6) | |
YONGZHONG OUYANG; ZHONGHAI TANG; YIZENG LIANG | |
刊名 | Journal of Theoretical and Computational Chemistry |
2010 | |
卷号 | 9期号:3页码:561-571 |
关键词 | B3LYP/6-31 + G (d, p) level Decomposition pathways activation energy bond dissociation energy (BDE) density functional theory polynitrotriprismanes (PNNPs) |
ISSN号 | 0219-6336 |
DOI | 10.1142/S0219633610005852 |
URL标识 | 查看原文 |
WOS记录号 | WOS:000280501100002 |
内容类型 | 期刊论文 |
URI标识 | http://www.corc.org.cn/handle/1471x/5132484 |
专题 | 湖南农业大学 |
作者单位 | 1.[YIZENG LIANG 2.ZHONGHAI TANG 3.YONGZHONG OUYANG] Cent S Univ, Res Ctr Modernizat Chinese Med, Coll Chem & Chem Engn, Changsha 410083, Hunan, Peoples R China. |
推荐引用方式 GB/T 7714 | YONGZHONG OUYANG,ZHONGHAI TANG,YIZENG LIANG. Density functional theory study on the decomposition mechanisms of polynitrotriprismanes: C 6 H 6-n (NO 2 ) n (n = 2,4,6)[J]. Journal of Theoretical and Computational Chemistry,2010,9(3):561-571. |
APA | YONGZHONG OUYANG,ZHONGHAI TANG,&YIZENG LIANG.(2010).Density functional theory study on the decomposition mechanisms of polynitrotriprismanes: C 6 H 6-n (NO 2 ) n (n = 2,4,6).Journal of Theoretical and Computational Chemistry,9(3),561-571. |
MLA | YONGZHONG OUYANG,et al."Density functional theory study on the decomposition mechanisms of polynitrotriprismanes: C 6 H 6-n (NO 2 ) n (n = 2,4,6)".Journal of Theoretical and Computational Chemistry 9.3(2010):561-571. |
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