卤键及其在化学反应性和反应机理研究中的作用

20502022
2005
B0307.化学反应机制
邹建卫
青年科学基金项目
教授
浙大宁波理工学院
25万元
亲卤反应;从头算;密度泛函;反应机理;卤键
2006-01-01到2008-12-31
  • 中英文摘要
  • 结题摘要
  • 结题报告
  • 项目成果
  • 项目参与人
查看更多信息请先登录或注册
查看更多信息请先登录或注册
查看更多信息请先登录或注册
重置
序号 标题 类型 作者
1 Triangular halogen trimers. A DFT study of the structure, cooperativity, and vibrational properties 期刊论文
2 A theoretical study of the interactions of iodo-perfluorocarbon and iodo-hydrocarbon with haloid anions 期刊论文
3 Substituent Effects on Noncovalent Halogen/π Interactions: Theoretical Study. 期刊论文
4 1-Methyl-3-(1-methyl-2,3-dihydro-1H-indol-2-yl)-1H-indole 期刊论文
5 A quantitative insight into the ‘amphiphilicity’ of covalently-bonded halogens from ab initio calculations 期刊论文
6 Ab Initio Investigation of the Complexes between Bromobenzene and Several Electron Donors: Some Insights into the Magnitude and Nature of Halogen Bonding Interactions 期刊论文
7 Theoretical investigation on charge-assisted halogen bonding interactions in the complexes of bromocarbons with some anions 期刊论文
8 Halogen bonding: An AIM analysis of the weak interactions 期刊论文
9 Ab Initio Calculations on Halogen-Bonded Complexes and Comparison with Density Functional Methods 期刊论文
10 Halogen/? interaction and cooperativity effect between dihalogen molecules and unsaturated hydrocarbons: An ab initio study 期刊论文
11 Theoretical investigations of the C-X/π interactions between benzene and some model halocarbons 期刊论文
12 Ab initio and atoms in molecules analyses of halogen bonding with a continuum of strength 期刊论文
13 Single-electron halogen bond:ab initio study 期刊论文
14 Bifurcated halogen bonds: An ab initio study of the three-center interactions 期刊论文
15 Proton Exchanges between Phenols and Ammonia or Amines: A Computational Study 期刊论文
16 Ab initio Calculations on Halogen Bond Between N-Br and Electron-donating Groups. 期刊论文
17 Ab initio investigation of halogen bonding interactions involving fluorine as an electron acceptor 期刊论文
18 Halogen Bonds in Adenine-5-Bromouracil Complexes. 期刊论文
查看更多信息请先登录或注册

相关项目

趋势报告

经验分享