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CORC

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Machine Learning-Accelerated First-Principles Study of Atomic Configuration and Ionic Diffusion in Li10GeP2S12 Solid Electrolyte 期刊论文
MATERIALS, 2024, 卷号: 17, 期号: 8, 页码: 14
作者:  Qi, Changlin;  Zhou, Yuwei;  Yuan XZ(袁晓泽);  Peng Q(彭庆);  Yang, Yong
收藏  |  浏览/下载：0/0  |  提交时间：2024/05/27
Density Functional Theory Calculations of Equilibrium Mo Isotope Fractionation Factors among MoOxS4-x2- Species in the Aqueous Phase by the ONIOM Method 期刊论文
ACS EARTH AND SPACE CHEMISTRY, 2023, 卷号: 7, 期号: 1, 页码: 142-155
作者:  He, Yuyang;  Gao, Caihong;  Wei, Wei;  Liu, Yun
收藏  |  浏览/下载：0/0  |  提交时间：2024/01/08
Density Functional Theory Calculations of Equilibrium Mo Isotope Fractionation Factors among MoOxS4-x2- Species in the Aqueous Phase by the ONIOM Method 期刊论文
ACS EARTH AND SPACE CHEMISTRY, 2022, 页码: 14
作者:  He YY(何雨旸);  Gao,Caihong;  Wei,Wei;  Liu,Yun
收藏  |  浏览/下载：14/0  |  提交时间：2023/02/03
Theoretical prediction on structure evolution and optimal properties of silicon modified hexagonal boron nitride as interphase in SiCf/SiC composite 期刊论文
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY, 2022, 卷号: 42, 期号: 13, 页码: 5323-5333
作者:  Zhang, Siyan;  Liu, Mei;  Luo, Yixiu;  Sun, Luchao;  Wang, Jiemin
收藏  |  浏览/下载：37/0  |  提交时间：2022/09/16

Structures and energetics of multiple helium atoms in a tungsten monovacancy

 期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2022, 卷号: 561
作者:  Song, Chi;  Hou, Jie;  Kong, Xiang-Shan;  Chen, L.;  Wang, Sake
收藏  |  浏览/下载：16/0  |  提交时间：2022/12/23
Phase behaviors of ionic liquids attributed to the dual ionic and organic nature 期刊论文
COMMUNICATIONS IN THEORETICAL PHYSICS, 2022, 卷号: 74, 期号: 9, 页码: 97601
作者:  Tang, Chenyu;  Wang, Yanting
收藏  |  浏览/下载：6/0  |  提交时间：2023/01/16
Computational Auxiliary for the Progress of Sodium-Ion Solid-State Electrolytes 期刊论文
ACS NANO, 2021, 卷号: 15
作者:  Yang, Kaishuai;  Liu, Dayong;  Qian, Zhengfang;  Jiang, Dongting;  Wang, Renheng
收藏  |  浏览/下载：36/0  |  提交时间：2022/03/21
Barrierless HONO and HOS(O)2-NO2Formation via NH3-Promoted Oxidation of SO2by NO2 期刊论文
Journal of Physical Chemistry A, 2021, 卷号: 125, 期号: 12, 页码: 2666-2672
作者:  Wang, Guoying;  Ma, Shangrong;  Niu, Xiuli;  Chen, Xuefu;  Liu, Fengshuo
收藏  |  浏览/下载：11/0  |  提交时间：2022/02/17
Localized Nb clusters in U-Nb liquid alloys: An ab initio molecular dynamics study 期刊论文
NUCLEAR MATERIALS AND ENERGY, 2021, 卷号: 26, 页码: 8
作者:  Shi, Yongpeng;  Liu, Mingfeng;  Wang, Jiantao;  Ma, Hui;  Li, Ronghan
收藏  |  浏览/下载：26/0  |  提交时间：2021/10/15
Localized Nb clusters in U-Nb liquid alloys: An ab initio molecular dynamics study 期刊论文
NUCLEAR MATERIALS AND ENERGY, 2021, 卷号: 26, 页码: 8
作者:  Shi, Yongpeng;  Liu, Mingfeng;  Wang, Jiantao;  Ma, Hui;  Li, Ronghan
收藏  |  浏览/下载：21/0  |  提交时间：2021/10/15

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