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DFT Mechanism of Cu Catalyzed Coupling Reaction to Alkyl Aryl Ethers 期刊论文
ACTA CHIMICA SINICA, 2021, 卷号: 79, 期号: 7, 页码: 948-952
作者:  Man, Qingmin;  Fu, Zunyun;  Liu, Tiantian;  Zheng, Mingyue;  Jiang, Hualiang
收藏  |  浏览/下载:20/0  |  提交时间:2021/11/04
Assessing AMBER force fields for protein folding in an implicit solvent 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 10, 页码: 7206-7216
作者:  Shao, Oiang;  Zhu, Weiliang
收藏  |  浏览/下载:20/0  |  提交时间:2019/01/08
CHARMM-GUI 10 years for biomolecular modeling and simulation 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2017, 卷号: 38, 期号: 15, 页码: 1114-1124
作者:  Jo, Sunhwan;  Cheng, Xi;  Lee, Jumin;  Kim, Seonghoon;  Park, Sang-Jun
收藏  |  浏览/下载:21/0  |  提交时间:2019/01/08
The effects of organic solvents on the folding pathway and associated thermodynamics of proteins: a microscopic view 期刊论文
SCIENTIFIC REPORTS, 2016, 卷号: 6
作者:  Yu, Yuqi;  Wang, Jinan;  Shao, Qiang;  Shi, Jiye;  Zhu, Weiliang
收藏  |  浏览/下载:14/0  |  提交时间:2019/01/08
The Stabilization Effect of Dielectric Constant and Acidic Amino Acids on Arginine-Arginine (Arg-Arg) Pairings: Database Survey and Computational Studies 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2013, 卷号: 117, 期号: 17, 页码: 4827-4835
作者:  Zhang, Zhengyan;  Xu, Zhijian;  Yang, Zhuo;  Liu, Yingtao;  Wang, Jin'an
收藏  |  浏览/下载:8/0  |  提交时间:2019/01/08
The Electronic Spectra of the Sandwich Stacked PFBT: A Theoretical Study 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2011, 卷号: 115, 期号: 24, 页码: 6376-6382
作者:  Wang, Jing;  Gu, Jiande;  Leszczynski, Jerzy
收藏  |  浏览/下载:10/0  |  提交时间:2019/01/08
Understanding electron attachment to the DNA double helix: The thymidine monophosphate-adenine pair in the gas phase and aqueous solution 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2006, 卷号: 110, 期号: 39, 页码: 19696-19703
作者:  Gu, Jiande;  Xie, Yaoming;  Schaefer, Henry F., III
收藏  |  浏览/下载:10/0  |  提交时间:2019/01/08
Quantum chemical investigation on solvation of Ginkgolides 期刊论文
SCIENCE IN CHINA SERIES B-CHEMISTRY, 1998, 卷号: 41, 期号: 5, 页码: 494-503
作者:  Chen, JZ;  Chen, KX;  Jiang, HL;  Gu, JD;  Zhu, WL
收藏  |  浏览/下载:8/0  |  提交时间:2019/01/08


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