Ab initio study of the reaction between N2O5 and H2O
文献类型：期刊论文
| 作者 | Xu, SC |
| 刊名 | ACTA CHIMICA SINICA
 |
| 出版日期 | 2000 |
| 卷号 | 58期号:8页码:953-957 |
| 关键词 | Ab Initio N2o5 Chemical Reaction |
| ISSN号 | 0567-7351 |
| 英文摘要 | In the process of ozone hole formation, polar stratospheric clouds (PSCs) play an essential role, To understand the formation and the character of PSCs, we have carried out quantum chemical calculations on the N5O5 + H2O reaction system, using different calculation methods, At the QCISD(T)//MP2/6-311 G(d,p) level, it is found that for the gas-phase reaction Delta H-0 = -39.5kJ.mol(-1), Delta G(0) = -36.1kJ.mol(-1), E-a = 88.2kJ.mol(-1) at 298K, respectively, These results are consistent with the facile hydrolysis of N2O5 by moisture. |
| 语种 | 英语 |
| WOS记录号 | WOS:000089003400005 |
| 出版者 | SCIENCE PRESS |
| 源URL | [http://ir.iccas.ac.cn/handle/121111/75977]  |
| 专题 | 中国科学院化学研究所 |
| 通讯作者 | Xu, SC |
| 作者单位 | 1.Peking Univ, Coll Chem & Mol Engn, Beijing 100871, Peoples R China 2.Chinese Acad Sci, Inst Chem, Ctr Mol Sci, State Key Lab Struct Chem Unstable & Stable Speci, Beijing 100080, Peoples R China |
| 推荐引用方式 GB/T 7714 | Xu, SC. Ab initio study of the reaction between N2O5 and H2O[J]. ACTA CHIMICA SINICA,2000,58(8):953-957. |
| APA | Xu, SC.(2000).Ab initio study of the reaction between N2O5 and H2O.ACTA CHIMICA SINICA,58(8),953-957. |
| MLA | Xu, SC."Ab initio study of the reaction between N2O5 and H2O".ACTA CHIMICA SINICA 58.8(2000):953-957. |
入库方式： OAI收割
来源：化学研究所
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