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Pnictogen, chalcogen, and halogen bonds in catalytic systems: theoretical study and detailed comparison 期刊论文
JOURNAL OF MOLECULAR MODELING, 2020, 卷号: 26, 期号: 1, 页码: 12
作者:  Lu, Ling;  Lu, Yunxiang;  Zhu, Zhengdan;  Liu, Honglai
收藏  |  浏览/下载:39/0  |  提交时间:2020/07/01
2Ch-2N square and hexagon interactions: a combined crystallographic data analysis and computational study 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 38, 页码: 21568-21576
作者:  Lu, Yunxiang;  Li, Wenxia;  Yang, Weiwei;  Zhu, Zhengdan
收藏  |  浏览/下载:8/0  |  提交时间:2020/07/01
Noble gas bond and the behaviour of XeO3 under pressure 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017, 卷号: 19, 期号: 40, 页码: 27463-27467
作者:  Hou, Chunju;  Wang, Xianlong;  Botana, Jorge;  Miao, Maosheng
收藏  |  浏览/下载:22/0  |  提交时间:2019/06/17
Theoretical study on the interactions of halogen-bonds and pnicogen-bonds in phosphine derivatives with Br2, BrCl, and BrF 期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2017, 卷号: Vol.117 No.22
作者:  Jiao, Yinchun;  Liu, Yi;  Zhao, Wenjing;  Wang, Zhaoxu;  Ding, Xunlei
收藏  |  浏览/下载:3/0  |  提交时间:2019/12/31
Performance of density functional theory on the anisotropic halogen center dot center dot center dot halogen interactions and potential energy surface: Problems and possible solutions 期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2016, 卷号: 116, 期号: 9, 页码: 710-717
作者:  Liu, Fang;  Du, Likai;  Zhang, Dongju;  Gao, Jun
收藏  |  浏览/下载:18/0  |  提交时间:2016/07/12
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
收藏  |  浏览/下载:31/0  |  提交时间:2015/11/02
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
收藏  |  浏览/下载:19/0  |  提交时间:2015/12/09
Application of Polarizable Ellipsoidal Force Field Model to Pnicogen Bonds 期刊论文
Journal of Computational Chemistry: Organic, Inorganic, Physical, Biological, 2015, 卷号: 36, 期号: 7, 页码: 441-448
作者:  Liu, Fang;  Du, Likai;  Gao, Jun;  Wang, Lili;  Song, Bo
收藏  |  浏览/下载:7/0  |  提交时间:2019/12/17
Toward the Development of the Potential with Angular Distortion for Halogen Bond: A Comparison of Potential Energy Surfaces between Halogen Bond and Hydrogen Bond 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2014, 卷号: 118, 期号: 39, 页码: 9140—9147
Wang, LL; Gao, J; Bi, FZ; Song, B; Liu, CB
收藏  |  浏览/下载:22/0  |  提交时间:2015/03/13
The Polarizable Ellipsoidal force field for pnicogen bonds 会议论文
中国化学会第十二届全国量子化学会议
作者:  Liu F(刘芳);  Gao J(高军);  Du LK(杜利凯);  Liu CB(刘成卜)
收藏  |  浏览/下载:2/0  |  提交时间:2019/12/31


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