CORC

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CORC

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Global Potential Energy Surfaces by Compressed-State Multistate Pair-Density Functional Theory for Hyperthermal Collisions in the O2+O2 System 期刊论文
CHEMPHYSCHEM, 2024, 页码: 15
作者:  Jiang, Jie;  Yang, Jiawei;  Hong QZ(洪启臻);  Sun QH(孙泉华);  Li, Jun
收藏  |  浏览/下载：4/0  |  提交时间：2024/05/27
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：5/0  |  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
An emb e dde d-atom method potential for studying the properties of Fe-Pb solid-liquid interface 期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2022, 卷号: 572
作者:  Lei, Yawei;  Zhang, Jingdan;  Zhang, Yange;  Li, Xiangyan;  Xu, Yichun
收藏  |  浏览/下载：20/0  |  提交时间：2022/12/23
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：17/0  |  提交时间：2023/02/03
Strain Engineering in Ni-Co-Mn-Sn Magnetic Shape Memory Alloys: Influence on the Magnetic Properties and Martensitic Transformation 期刊论文
MATERIALS, 2022, 卷号: 15, 期号: 17, 页码: 14
作者:  Xia, Qinhan;  Tan, Changlong;  Han, Binglun;  Tian, Xiaohua;  Zhao, Lei
收藏  |  浏览/下载：19/0  |  提交时间：2022/10/08
Segregation and diffusion behaviours of helium at grain boundaries in silicon carbide ceramics: first-principles calculations and experimental investigations 期刊论文
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY, 2022, 卷号: 42
作者:  Sun, Jingjing;  You, Yu-Wei;  Wu, Xuebang;  Song, Hong-Yue;  Li, B. S.
收藏  |  浏览/下载：202/0  |  提交时间：2022/12/23
Density functional theory calculations of nitrogen and oxygen equilibrium isotope fractionations in NO3--NO2--H2O aqueous system reveal inverse kinetic isotope effects during nitrite oxidation 期刊论文
APPLIED GEOCHEMISTRY, 2022, 卷号: 139, 页码: 11
作者:  He, Yuyang;  Li, Long
收藏  |  浏览/下载：22/0  |  提交时间：2022/07/18
Optical Properties of C-rich (C-12, SiC and FeC) Dust Layered Structure of Massive Stars 期刊论文
RESEARCH IN ASTRONOMY AND ASTROPHYSICS, 2022, 卷号: 22, 期号: 3
作者:  Wu, Rui-Qing;  Long, Meng-Qiu;  Zhang, Xiao-Jiao;  Wang, Yun-Peng;  Yao, Meng-Li
收藏  |  浏览/下载：100/0  |  提交时间：2022/03/28
STRUCTURAL AND ELASTIC PROPERTIES OF AgNi10 ALLOY STUDIED WITH AB-INITIO CALCULATIONS 期刊论文
MATERIALI IN TEHNOLOGIJE, 2022, 卷号: 56, 期号: 2, 页码: 149-157
作者:  Liu, Jide;  Wang, Xue;  Du, Xaoming;  Xie, Ming;  Li, Jinguo
收藏  |  浏览/下载：17/0  |  提交时间：2022/07/01

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