| 查看: 994 | 回复: 1 | |||
chenys铁杆木虫 (正式写手)
|
[求助]
求SCI文章的检索号 已有1人参与
|
| Theoretical Study of X-•1•YF (1=triazine, X=Cl, Br and I, Y=H, Cl, Br, I, PH2 and AsH2): Noncovalently Electron-withdrawing Effects on Anion-arene Interactions, Yishan Chen, Lifeng Yao, Journal of Molecular Modeling, 2014, 20, 2076 (1-11). DOI 10.1007/s00894-014-2076-0 |
回复此楼» 猜你喜欢
售一区SCI文章T0P，我:8O.551.O54,科目全,可十急
已经有3人回复
-
售SCI一区文章，我:8.O.551.O.5.4,科目全,可伽急
已经有3人回复
-
售SCI一区T0P文章，我:8.O55.1.O.54,科目全,可十急
已经有3人回复
-
售SCI一区T0P文章，我:8O.55.1.O.54,科目全,可伽急
已经有4人回复
-
售SCI一区T0P文章，我:8O.55.1.O.5.4,科目齐全,可+急
已经有3人回复
-
售SCI一区文章，我:8O5.5.1.O5.4,科目全,可伽急
已经有3人回复
-
售SCI一区T0P文章，我:8.O.55.1.O.5.4,科目全,可+急
已经有3人回复
-
售SCI-T0P文章，我:8O.5.5.1.O.54,科目齐全,可+急
已经有3人回复
-
售SCI一区T0P文章，我:8.O.55.1.O.5.4,科目全,可+急
已经有3人回复
-
售一区SCI文章T0P，我:8O.551.O54,科目全,可十急
已经有3人回复
» 本主题相关价值贴推荐，对您同样有帮助:
- SCI期刊的检索号到底是什么啊？
已经有15人回复
- SCI论文收录号
已经有5人回复
- 学校web of sci. 无法连接 求查询检索号
已经有4人回复
- 关于SCI检索的问题
已经有7人回复
- 急用，谁能帮我查下这7篇文章的SCI检索号，感激不尽！
已经有6人回复
- sci与pubmed检索的区别是什么？
已经有19人回复
- 求助SCI检索号
已经有7人回复
- 会议论文在web of science上能搜到，这样算sci检索了么？
已经有40人回复
- 期刊不再被sci检索了，之前的论文该何去何从？？
已经有40人回复
- SCI文章9月份就on line了，怎么现在还查不到收录号？
已经有11人回复
- sci检索号如何查找？
已经有5人回复
- 求教SCI检索中的几个概念
已经有5人回复
- 求助查找2篇SCI论文的检索号
已经有13人回复
- SCI检索号和CA检索号求助
已经有7人回复
- WOS是不是就是SCI检索号
已经有23人回复
- 请问sci扩展板的文章是否都被检索，还是只是部分文章被检索呢？
已经有6人回复
- 请帮忙查询几篇SCI文章的检索号，非常感谢！
已经有6人回复
- 请问如何获知某篇文章的SCI号或EI号？哪里能查到呢？
已经有10人回复
- 急求文章的EI检索号(1篇含SCI号），
已经有6人回复
- 请求查询我的论文的SCI检索号，我们学校没有数据库。
已经有6人回复
- SCI论文检索号的查询
已经有13人回复
- 求助一个关于SCI检索的问题
已经有8人回复
- 关于国际会议和SCI检索的问题
已经有10人回复
【答案】应助回帖
★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与，应助指数 +1
chenys: 金币+10 2014-06-05 07:05:21
感谢参与，应助指数 +1
chenys: 金币+10 2014-06-05 07:05:21
|
Theoretical study of X- center dot 1 center dot YF (1 = triazine, X = Cl, Br and I, Y = H, Cl, Br, I, PH2 and AsH2): noncovalently electron-withdrawing effects on anion-arene interactions 作者:Chen, YS (Chen, Yishan)[ 1 ] ; Yao, LF (Yao, Lifeng)[ 1 ] JOURNAL OF MOLECULAR MODELING 卷: 20 期: 1 文献号: 2076 DOI: 10.1007/s00894-014-2076-0 出版年: JAN 2014 查看期刊信息 摘要 The ternary complexes X- center dot 1 center dot YF (1 = triazine, X = Cl, Br and I, Y = H, Cl, Br, I, PH2 and AsH2) have been investigated by MP2 calculations to understand the noncovalently electron-withdrawing effects on anion-arene interactions. The results indicate that in binary complexes (1 center dot X-), both weak sigma-type and anion-pi complexes can be formed for Cl- and Br-, but only anion-pi complex can be formed for I-. Moreover, the hydrogen-bonding complex is the global minimum for all three halides in binary complexes. However, in ternary complexes, anion-pi complex become unstable and only sigma complex can retain in many cases for Cl- and Br-. Anion-pi complex keeps stable only when YF = HF. In contrast with binary complexes, s complex become the global minimum for Cl- and Br- in ternary complexes. These changes in binding mode and strength are consistent with the results of covalently electron-withdrawing effects. However, in contrast with the covalently electron-withdrawing substituents, Cl- and Br- can attack the aromatic carbon atom to form a strong s complex when the noncovalently electron-withdrawing effect is induced by halogen bonding. The binding behavior for I- is different from that for Cl- and Br- in two aspects. First, the anion-pi complex for I- can also keep stable when the noncovalent interaction is halogen bonding. Second, the anion-pi complex for I- is the global minimum when it can retain as a stable structure. 关键词 作者关键词:Anion-pi interaction; Halogen bond; Hydrogen bond; Pnicogen bond; Supramolecular chemistry KeyWords Plus:HYDROGEN-BONDING INTERACTIONS; PAIR-PI INTERACTIONS; CATION-PI; HALIDE RECOGNITION; CRYSTAL-STRUCTURES; HALOGEN BONDS; COMPLEXES; COOPERATIVITY; RECEPTORS; INTERPLAY 作者信息 通讯作者地址: Chen, YS (通讯作者) Qujing Normal Univ, Sch Chem & Chem Engn, Qujing 655011, Yunnan, Peoples R China. 地址: [ 1 ] Qujing Normal Univ, Sch Chem & Chem Engn, Qujing 655011, Yunnan, Peoples R China 电子邮件地址:chenyishan916@163.com 基金资助致谢 基金资助机构 授权号 High Performance Computing Center, Kunming Institute of Botany, CAS, China 查看基金资助信息 出版商 SPRINGER, 233 SPRING ST, NEW YORK, NY 10013 USA 类别 / 分类 研究方向:Biochemistry & Molecular Biology; Biophysics; Chemistry; Computer Science Web of Science 类别:Biochemistry & Molecular Biology; Biophysics; Chemistry, Multidisciplinary; Computer Science, Interdisciplinary Applications 文献信息 文献类型:Article 语种:English 入藏号: WOS:000332178500005 ISSN: 1610-2940 电子 ISSN: 0948-5023 期刊信息 Impact Factor (影响因子): Journal Citation Reports® 其他信息 IDS 号: AC0IR Web of Science 核心合集中的 "引用的参考文献": 56 Web of Science 核心合集中的 "被引频次": 0 |
2楼2014-06-05 00:10:43
