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First principles calculation of redox potential for tetravalent actinides in molten LiCl-KCl eutectic based on vertical substitution and relaxation 期刊论文
ELECTROCHIMICA ACTA, 2019, 卷号: 293, 页码: 466-475
作者:  Zhang, Yu[1];  Song, Jia[2];  Li, Xuejiao[3];  Yan, Liuming[4];  Shi, Shuping[5]
收藏  |  浏览/下载:24/0  |  提交时间:2019/04/22
Therapeutic target database update 2018: enriched resource for facilitating bench-to-clinic research of targeted therapeutics 期刊论文
2018, 卷号: 46, 页码: D1121-D1127
作者:  Li, Ying Hong[1,2,4];  Yu, Chun Yan[1,2,4];  Li, Xiao Xu[1,2,4];  Zhang, Peng[1,2];  Tang, Jing[4]
收藏  |  浏览/下载:34/0  |  提交时间:2019/11/30
Static and dynamic structure of Pu3+ in molten LiCl-KCl eutectic revealed by first-principles molecular dynamics simulations 期刊论文
MOLECULAR SIMULATION, 2018, 卷号: 44, 页码: 1353-1361
作者:  Shi, Shuping[1];  Li, Xuejiao[2];  Song, Jia[3];  Yan, Liuming[4];  Jiang, Tao[5]
收藏  |  浏览/下载:5/0  |  提交时间:2019/04/22
Astonishing synergetic effect of proton conducting between phosphonic acid groups and triazolyl groups tethered simultaneously on poly(ether sulfone) backbone 期刊论文
SOLID STATE IONICS, 2018, 卷号: 320, 页码: 100-112
作者:  Zeng, Guangbo[1];  Yue, Baohua[2];  Li, Xuejiao[3];  Yan, Liuming[4]
收藏  |  浏览/下载:6/0  |  提交时间:2019/04/22
Therapeutic target database update 2018: enriched resource for facilitating bench-to-clinic research of targeted therapeutics. 期刊论文
2017
作者:  Li, Ying Hong[1,2];  Yu, Chun Yan[1,2];  Li, Xiao Xu[1,2];  Zhang, Peng[1];  Tang, Jing[2]
收藏  |  浏览/下载:9/0  |  提交时间:2019/11/30
Pyroprocessing of spent nuclear fuels: Theoretical calculations and multiscale molecular simulations of solute behavior in molten salts 期刊论文
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2017, 卷号: 253
作者:  Li, Xuejiao[1];  Yan, Liuming[2];  Song, Jia[3];  Shi, Shuping[4];  Yue, Baohua[5]
收藏  |  浏览/下载:4/0  |  提交时间:2019/04/24
Towards the calculations of redox potentials in molten LiCl-KCl eutectic by ensemble averages based on first principles molecular dynamics 期刊论文
ELECTROCHIMICA ACTA, 2017, 卷号: 248, 页码: 462-469
作者:  Song, Jia[1];  Li, Xuejiao[2];  Shi, Shuping[3];  Yan, Liuming[4];  Jiang, Tao[5]
收藏  |  浏览/下载:10/0  |  提交时间:2019/04/24
On the First Principles Calculation of Redox Potential in Molten LiCl-KCl Eutectic Based on Adiabatic Substitution 期刊论文
JOURNAL OF THE ELECTROCHEMICAL SOCIETY, 2017, 卷号: 64, 页码: II846-II853
作者:  Song, Jia[1];  Li, Xuejiao[2];  Zhang, Yu[3];  Shi, Shuping[4];  Yan, Liuming[5]
收藏  |  浏览/下载:10/0  |  提交时间:2019/04/24
Finite element analysis of the Poisson-Boltzmann equation coupled with chemical equilibriums: redistribution and transport of protons in nanophase separated polymeric acid-base proton exchange membranes 期刊论文
MOLECULAR SIMULATION, 2017, 卷号: 43, 页码: 1307-1314
作者:  Li, Xuejiao[1];  Yan, Liuming[2];  Yue, Baohua[3]
收藏  |  浏览/下载:3/0  |  提交时间:2019/04/24
First-principles molecular dynamics modeling of UCl3 in LiCl-KCl eutectic 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2017, 卷号: 234, 页码: 279-286
作者:  Song, Jia[1];  Shi, Shuping[2];  Li, Xuejiao[3];  Yan, Liuming[4]
收藏  |  浏览/下载:7/0  |  提交时间:2019/04/24


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