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西北高原生物研究所 [9]
上海药物研究所 [6]
厦门大学 [2]
兰州大学 [1]
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期刊论文 [22]
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chemistry [1]
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Cation-anion radical interactions between halopyridinium cations and metal dithiolene complexes [M(C2S2)(2)CN](-center dot): A theoretical study of halogen bonds in conducting or magnetic molecular materials
期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2016, 卷号: 116, 期号: 24, 页码: 1872-1881
作者:
Zhao, Chengxi
;
Lu, Yunxiang
;
Wang, Guimin
;
Zhu, Weiliang
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2019/01/08
anion radicals
cation-anion interactions
halogen bonds
M06
Intramolecular halogen bonds in 1,2-aryldiyne molecules: a theoretical study
期刊论文
STRUCTURAL CHEMISTRY, 2016, 卷号: 27, 期号: 3, 页码: 907-917
作者:
Zhang, Yuchen
;
Lu, Yunxiang
;
Xu, Zhijian
;
Ding, Hairong
;
Wu, Weihong
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2019/01/08
Intramoleuclar halogen bonds
1,2-aryldiyne compounds
M06-2x
CSD
Cooperative halogen bonds in V-shaped H3N center dot X1X2 center dot X3Y (X1, X2, X3=Cl and Br; Y = F, Cl and Br) complexes
期刊论文
RSC ADVANCES, 2016, 卷号: 6, 期号: 4-17, 页码: 106285-106296
作者:
Yang, X
;
Yan, CX
;
Zhou, DG
;
Yang, F
;
Zhou, PP
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  |  
浏览/下载:4/0
  |  
提交时间:2017/05/08
Application of Polarizable Ellipsoidal Force Field Model to Pnicogen Bonds
期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2015, 卷号: 36, 期号: 7, 页码: 441-448
作者:
Liu, Fang
;
Du, Likai
;
Gao, Jun
;
Wang, Lili
;
Song, Bo
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  |  
浏览/下载:31/0
  |  
提交时间:2015/11/02
pnicogen bond
noncovalent interaction
polarizable force field
electrostatic potential
anisotropic
Application of Polarizable Ellipsoidal Force Field Model to Pnicogen Bonds
期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2015, 卷号: 36, 期号: 7, 页码: 441—448
作者:
Liu, F
;
Du, LK
;
Gao, J
;
Wang, LL
;
Song, B
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  |  
浏览/下载:17/0
  |  
提交时间:2015/12/09
SYMMETRY-ADAPTED PERTURBATION
CENTER-DOT-N
DENSITY-FUNCTIONAL THEORY
HYDROGEN-BOND
ELECTRON-DONORS
SIGMA-HOLE
NONCOVALENT INTERACTION
MOLECULAR-MECHANICS
CORRELATION-ENERGY
HALOGEN BONDS
Strong halogen bonds between halo-perfluorobenzenes (C6F5X) and pyridine molecules: A combined theoretical and crystallographic data study
期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2014, 卷号: 1027, 页码: 79-83
作者:
Shi, Qiaocui
;
Su, Hairong
;
Liu, Yingtao
;
Wu, Weihong
;
Lu, Yunxiang
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  |  
浏览/下载:15/0
  |  
提交时间:2019/01/08
X center dot center dot center dot N halogen bonds
M05-2x
Electrostatic interactions
CSD
A theoretical study on the halogen bonding interactions of C6F5I with a series of group 10 metal monohalides
期刊论文
JOURNAL OF MOLECULAR MODELING, Cheng, N; Liu, YJ; Zhang, CQ; Liu, CB.A theoretical study on the halogen bonding interactions of C6F5I with a series of group 10 metal monohalides,JOURNAL OF MOLECULAR MODELING,2013,19(9):3821-3829, 2013
Cheng, Na
;
Liu, Yongjun
;
Zhang, Changqiao
;
Liu, Chengbu
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  |  
浏览/下载:18/0
  |  
提交时间:2019/07/23
A theoretical study on the halogen bonding interactions of C6F5I with a series of group 10 metal monohalides
期刊论文
JOURNAL OF MOLECULAR MODELING, Cheng, N; Liu, YJ; Zhang, CQ; Liu, CB.A theoretical study on the halogen bonding interactions of C6F5I with a series of group 10 metal monohalides,JOURNAL OF MOLECULAR MODELING,2013,19(9):3821-3829, 2013
Cheng, Na
;
Liu, Yongjun
;
Zhang, Changqiao
;
Liu, Chengbu
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2019/06/28
A theoretical study on the halogen bonding interactions of C6F5I with a series of group 10 metal monohalides
期刊论文
JOURNAL OF MOLECULAR MODELING, Cheng, N; Liu, YJ; Zhang, CQ; Liu, CB.A theoretical study on the halogen bonding interactions of C6F5I with a series of group 10 metal monohalides,JOURNAL OF MOLECULAR MODELING,2013,19(9):3821-3829, 2013
Cheng, Na
;
Liu, Yongjun
;
Zhang, Changqiao
;
Liu, Chengbu
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2019/07/23
A theoretical study on the halogen bonding interactions of C6F5I with a series of group 10 metal monohalides
期刊论文
JOURNAL OF MOLECULAR MODELING, Cheng, N; Liu, YJ; Zhang, CQ; Liu, CB.A theoretical study on the halogen bonding interactions of C6F5I with a series of group 10 metal monohalides,JOURNAL OF MOLECULAR MODELING,2013,19(9):3821-3829, 2013
Cheng, Na
;
Liu, Yongjun
;
Zhang, Changqiao
;
Liu, Chengbu
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2019/07/12
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