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| First-Principles Calculations about Elastic and Li+ Transport Properties of Lithium Superoxides under High Pressure and High Temperature 期刊论文 Chinese Physics Letters, 2022, 卷号: 39, 期号: 2, 页码: 026101 作者: Yufeng Li; Shichuan Sun; Yu He; Heping Li Adobe PDF(5900Kb)  |  收藏  |  浏览/下载:142/0  |  提交时间:2023/03/24 |
| First-Principles Calculations about Elastic and Li+ Transport Properties of Lithium Superoxides under High Pressure and High Temperature 期刊论文 Chinese Physics Letters, 2022, 卷号: 39, 页码: 52-62 作者: Yufeng Li; Shichuan Sun; Yu He; Heping Li 收藏  |  浏览/下载:212/0  |  提交时间:2023/03/27 |
| First‑principles investigations on the formation of H2O defects in lizardite with influence on the elastic property 期刊论文 Physics and Chemistry of Minerals, 2019, 卷号: 46, 页码: 935–946 作者: Shichuan Sun;Yu He Adobe PDF(5051Kb)  |  收藏  |  浏览/下载:122/0  |  提交时间:2020/09/24 Lizardite h2o Defects elastic Property seismic Anomalies |
| First-principles investigations on the formation of H2O defects in lizardite with influence on the elastic property 期刊论文 Physics and Chemistry of Minerals, 2019, 卷号: 46, 期号: 10, 页码: 935-946 作者: Shichuan Sun;Yu He Adobe PDF(5051Kb)  |  收藏  |  浏览/下载:143/0  |  提交时间:2020/11/20 Lizardite H2o Defects Elastic Property Seismic Anomalies |
| Equilibrium Mg isotope fractionation among aqueous Mg2+, carbonates, brucite and lizardite: Insights from first-principles molecular dynamics simulations 期刊论文 Geochimica et Cosmochimica Acta, 2019, 卷号: 250, 页码: 117-129 作者: Wenzhong Wang; Chen Zhou; Yun Liu; Zhongqing Wu; Fang Huang Adobe PDF(2233Kb)  |  收藏  |  浏览/下载:150/0  |  提交时间:2020/12/04 Mg Isotopes Equilibrium Fractionation Density Functional Theory First-principles Molecular Dynamics Simulations Aqueous Mg2++ Concentration Effect Carbonates Brucite |
| Equilibrium Mg isotope fractionation among aqueous Mg2+, carbonates, brucite and lizardite: Insights from first-principles molecular dynamics simulations 期刊论文 Geochimica et Cosmochimica Acta, 2019, 卷号: 250, 页码: 117-129 作者: Wenzhong Wang; Chen Zhou; Yun Liu; Zhongqing Wu; Fang Huang Adobe PDF(2233Kb)  |  收藏  |  浏览/下载:152/0  |  提交时间:2020/09/21 Mg Isotopes Equilibrium Fractionation Density Functional Theory First-principles Molecular Dynamics Simulations Aqueous mg2+concentration Effect Carbonates Brucite |
| Theoretical calculation of equilibrium Mg isotope fractionations between minerals and aqueous solutions 期刊论文 Chemical Geology, 2018, 卷号: 488, 页码: 62-75 作者: Caihong Gao; Xiaobin Cao; Qi Liu; Yuhong Yang; Siting Zhang; Yuyang He; Mao Tang; Yun Liu Adobe PDF(2618Kb)  |  收藏  |  浏览/下载:219/0  |  提交时间:2019/05/17 Mg Isotope Fractionation solid And Solution quantum Chemistry Method vvcm |
| 大气汞在重要化学转化过程中的同位素分馏 学位论文 , 中国科学院地球化学研究所: 中国科学院大学, 2018 作者: 孙广义 Adobe PDF(4304Kb)  |  收藏  |  浏览/下载:543/0  |  提交时间:2019/07/15 大气汞 同位素分馏 形态转化 动力学 实验模拟 |
| 矿物和溶液间镁同位素平衡分馏的理论计算 学位论文 , 中国科学院地球化学研究所: 中国科学院大学, 2018 作者: 高才洪 Adobe PDF(2971Kb)  |  收藏  |  浏览/下载:305/0  |  提交时间:2019/07/15 Mg同位素 平衡分馏 理论计算 Vvcm |
| 气化过程同位素分馏理论模型和计算 学位论文 , 中国科学院地球化学研究所: 中国科学院大学, 2018 作者: 罗海洋 Adobe PDF(3379Kb)  |  收藏  |  浏览/下载:218/0  |  提交时间:2019/07/12 两端元模型 平衡镁同位素分馏 分子动力学 力常数 约化配分函数 |