CORC

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CORC

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Computational study of the substituent effect of halogenated fused-ring heteroaromatics on halogen bonding 期刊论文
JOURNAL OF MOLECULAR MODELING, 2020, 卷号: 26, 期号: 10, 页码: 12
作者:  Zhang, Qihua;  Smalley, Adam;  Zhu, Zhengdan;  Xu, Zhijian;  Peng, Cheng
收藏  |  浏览/下载：52/0  |  提交时间：2020/12/21
The differences and cooperativity between Ge (Sn)center dot center dot center dot O tetrel bonds and X (X = F, Cl, Br, and I)center dot center dot center dot O halogen bonds 期刊论文
CHEMICAL PHYSICS, 2020, 卷号: 534, 页码: 6
作者:  Li, Yuchun;  Wang, Xiaoting;  Wang, Hui;  Lu, Yunxiang;  Zhu, Zhengdan
收藏  |  浏览/下载：34/0  |  提交时间：2020/07/01
Halogen bonding in differently charged complexes: basic profile, essential interaction terms and intrinsic sigma-hole 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 27, 页码: 15106-15119
作者:  Zhu, Zhengdan;  Wang, Guimin;  Xu, Zhijian;  Chen, Zhaoqiang;  Wang, Jinan
收藏  |  浏览/下载：37/0  |  提交时间：2020/07/01
A comparative study of S center dot center dot center dot pi chalcogen bonds between SF2 or SFH and C-C multiple bonds 期刊论文
JOURNAL OF MOLECULAR STRUCTURE, 2019, 卷号: 1188, 页码: 62-68
作者:  Su, He;  Wu, Han;  Wang, Hui;  Wang, Hongyan;  Ni, Yuxiang
收藏  |  浏览/下载：8/0  |  提交时间：2020/07/01
Ion-pair recognition based on halogen bonding: a case of the crown-ether receptor with iodo-trizole moiety 期刊论文
STRUCTURAL CHEMISTRY, 2018, 卷号: 29, 期号: 2, 页码: 533-540
作者:  Zhou, Li;  Lu, Yunxiang;  Xu, Zhijian;  Peng, Changjun;  Liu, Honglai
收藏  |  浏览/下载：18/0  |  提交时间：2019/01/08
Predicting Hepatotoxicity of Drug Metabolites Via an Ensemble Approach Based on Support Vector Machine 期刊论文
COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING, 2017, 卷号: 20, 期号: 10, 页码: 839-849
作者:  Lu, Yin;  Liu, Lili;  Lu, Dong;  Cai, Yudong;  Zheng, Mingyue
收藏  |  浏览/下载：18/0  |  提交时间：2019/01/08
How Do Distance and Solvent Affect Halogen Bonding Involving Negatively Charged Donors? 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2016, 卷号: 120, 期号: 34, 页码: 8784-8793
作者:  Chen, Zhaoqiang;  Wang, Guimin;  Xu, Zhijian;  Wang, Jinan;  Yu, Yuqi
收藏  |  浏览/下载：17/0  |  提交时间：2019/01/08
Interfacial Rheology of Hydrogen-Bonded Polymer Multilayers Assembled at Liquid Interfaces: Influence of Anchoring Energy and Hydrophobic Interactions 期刊论文
Langmuir : the ACS journal of surfaces and colloids, 2016, 卷号: 32, 期号: 24, 页码: 6089-96
作者:  Le Tirilly, Sandrine;  Tregouët, Corentin;  Reyssat, Mathilde;  Bône, Stéphane;  Geffroy, Cédric
收藏  |  浏览/下载：14/0  |  提交时间：2019/01/08
A quantum mechanics-based halogen bonding scoring function for protein-ligand interactions 期刊论文
JOURNAL OF MOLECULAR MODELING, 2015, 卷号: 21, 期号: 6
作者:  Yang, Zhuo;  Liu, Yingtao;  Chen, Zhaoqiang;  Xu, Zhijian;  Shi, Jiye
收藏  |  浏览/下载：11/0  |  提交时间：2019/01/08
Understanding Voltage Gating of Providencia stuartii Porins at Atomic Level 期刊论文
PLOS COMPUTATIONAL BIOLOGY, 2015, 卷号: 11, 期号: 5
作者:  Song, Wanling;  Bajaj, Harsha;  Nasrallah, Chady;  Jiang, Hualiang;  Winterhalter, Mathias
收藏  |  浏览/下载：16/0  |  提交时间：2019/01/08

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