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Structural, electronic, and thermodynamic properties of curium dioxide: density functional theory calculations 期刊论文
Physical review b, 2017, 卷号: 96, 期号: 23, 页码: 13
作者:  Hou, Ling;  Li, Wei-Dong;  Wang, Fangwei;  Eriksson, Olle;  Wang, Bao-Tian
收藏  |  浏览/下载:34/0  |  提交时间:2019/04/23
Half-Metallicity in Co-Doped WSe2 Nanoribbons 期刊论文
AMER CHEMICAL SOC, 2017, 卷号: 9, 期号: 44, 页码: 38796-38801
作者:  Xu, Runzhang;  Liu, Bilu;  Zou, Xiaolong;  Cheng, Hui-Ming;  Zou, XL (reprint author), Tsinghua Univ, Tsinghua Berkeley Shenzhen Inst, Low Dimens Mat & Devices Lab, Shenzhen 518055, Guangdong, Peoples R China.
收藏  |  浏览/下载:22/0  |  提交时间:2018/01/10
Metal-metal multiple bond in low-valent diuranium porphyrazines and its correlation with metal oxidation state: a relativistic dft study 期刊论文
Computational and theoretical chemistry, 2017, 卷号: 1108, 页码: 29-39
作者:  Qu, Ning;  Su, Dong-Mei;  Wu, Qun-Yan;  Shi, Wei-Qun;  Pan, Qing-Jiang
收藏  |  浏览/下载:21/0  |  提交时间:2019/04/23
The effect of pressure on the structural, electronic, magnetic, and thermodynamic properties of the Mn2RuGe inverse Heusler alloy 期刊论文
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2017, 卷号: 428, 页码: 287-292
作者:  Song, Ting;  Sun, Xiao-Wei;  Tian, Jun-Hong;  Wei, Xiao-Ping;  Wan, Gui-Xin
收藏  |  浏览/下载:7/0  |  提交时间:2019/11/15
Dimensionality-strain phase diagram of strontium iridates 期刊论文
PHYSICAL REVIEW B, 2017, 卷号: 95, 期号: 11, 页码: -
Kim, Bongjae; Liu, Peitao; Franchini, Cesare
收藏  |  浏览/下载:17/0  |  提交时间:2017/08/17
A first-principles study on magnetic properties of the intrinsic defects in rutile TiO2 期刊论文
ACTA PHYSICA SINICA, 2017, 卷号: 66, 页码: 14
作者:  Lin Qiao-Lu;  Li Gong-Ping;  Xu Nan-Nan;  Liu Huan;  Wang Cang-Long
收藏  |  浏览/下载:20/0  |  提交时间:2018/05/31
Metal-metal multiple bond in low-valent diuranium porphyrazines and its correlation with metal oxidation state: A relativistic DFT study 期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2017, 卷号: 1108, 页码: 29-39
作者:  Qu, N;  Su, DM;  Wu QY(吴群燕);  Shi WQ(石伟群);  Wu, QY
收藏  |  浏览/下载:23/0  |  提交时间:2019/08/27
Structural, electronic, and thermodynamic properties of curium dioxide: Density functional theory calculations 期刊论文
PHYSICAL REVIEW B, 2017, 卷号: 96, 期号: 23, 页码: 235137
作者:  Hou, Ling;  Hou L(侯玲);  Eriksson, Olle;  Wang, Bao-Tian;  Wang BT(王保田)
收藏  |  浏览/下载:14/0  |  提交时间:2019/08/27
Performance of TD-DFT for Excited States of Open-Shell Transition Metal Compounds 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY A, 2017
Suo, Bingbing; Shen, Kaiyuan; Li, Zhendong; Liu, Wenjian
收藏  |  浏览/下载:7/0  |  提交时间:2017/12/03
Tuning magnetic properties of Cr2M2C3T2 (M = Ti and V) using extensile strain 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2017, 卷号: 139, 页码: 313-319
作者:  Yang, Jianhui;  Luo, Xuepiao;  Zhou, Xumeng;  Zhang, Shaozheng;  Liu, Jia
收藏  |  浏览/下载:14/0  |  提交时间:2017/12/25


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