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Improved Quantum-Classical Treatment of N2-N2 Inelastic Collisions: Effect of the Potentials and Complete Rate Coefficient Data Sets 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2023, 卷号: 19, 期号: 23, 页码: 8557-8571
作者:  Hong QZ(洪启臻);  Storchi, Loriano;  Sun QH(孙泉华);  Bartolomei, Massimiliano;  Pirani, Fernando
收藏  |  浏览/下载:1/0  |  提交时间:2024/01/22
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:13/0  |  提交时间:2023/02/03
First-principles study of He retention and clustering in Al-Ga alloy 期刊论文
INTERNATIONAL JOURNAL OF MODERN PHYSICS C, 2022
作者:  Wei, Liuming;  Li, Jingyu;  Li, Yonggang;  Ye, Xiaoqiu;  Niu, Caoping
收藏  |  浏览/下载:17/0  |  提交时间:2022/12/23
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
Strain effects on the behavior of intrinsic point defects within the GaN/AlN interface 期刊论文
INTERNATIONAL JOURNAL OF MODERN PHYSICS C, 2022
作者:  Yang, Yuming;  Zhang, Xuemei;  Liu, Jun;  Zhang, Chuanguo;  Li, Yonggang
收藏  |  浏览/下载:11/0  |  提交时间:2022/12/23
The effects of alkaline-earth-metal-element doping on the thermoelectric properties of beta-Zn4Sb3 star 期刊论文
EUROPEAN PHYSICAL JOURNAL-APPLIED PHYSICS, 2022, 卷号: 97
作者:  Liu, Mian;  Liu, Changsong;  Qi, Xiaoying
收藏  |  浏览/下载:14/0  |  提交时间:2022/05/16
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
Efficient electrochemical reduction of CO to C-2 products on the transition metal and boron co-doped black phosphorene 期刊论文
CHINESE CHEMICAL LETTERS, 2022, 卷号: 33, 期号: 4, 页码: 2183-2187
作者:  Kong, Lingyi;  Chen, Zhe;  Cai, Qinghai;  Yin, Lichang;  Zhao, Jingxiang
收藏  |  浏览/下载:25/0  |  提交时间:2022/07/14

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:13/0  |  提交时间:2022/12/23


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