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CORC

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High Coverage CO Adsorption on Fe6O6 Cluster Using GGA plus U 期刊论文
JOURNAL OF CLUSTER SCIENCE, 2020, 卷号: 31, 期号: 3, 页码: 591-600
作者:  Yu, Xiaohu;  Jin, Lingxia;  Zhao, Caibin;  Liu, Zhong
收藏  |  浏览/下载：18/0  |  提交时间：2021/11/16
Influence of Zr-S co-doping on the electronic structure and optical properties of anatase TiO2: first-principles GGA plus U method 期刊论文
APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING, 2019, 卷号: 125
作者:  Yan, Chao;  Zeng, Qunfeng;  Zhu, Jianing;  Cao, Qian
收藏  |  浏览/下载：1/0  |  提交时间：2019/11/19
Theoretical insights into the hydrophobicity of low index CeO2 surfaces 期刊论文
APPLIED SURFACE SCIENCE, 2019, 卷号: 478, 页码: 68-74
作者:  Fronzi, Marco;  Assadi, M. Hussein N.;  Hanaor, Dorian A. H.
收藏  |  浏览/下载：9/0  |  提交时间：2019/11/19
Description of light-element magnetic systems via density functional theory plus U with an example system of fluorinated boron nitride: An efficient alternative to hybrid functional approach 期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 146, 页码: 84-89
作者:  Li, Wanxue;  Xin, Xiaojun;  Wang, Hongyan;  Guo, Chunsheng;  Jiang, Hong
收藏  |  浏览/下载：42/0  |  提交时间：2019/04/09
Removal of volatile odorous organic compounds over NiAl mixed oxides at low temperature 期刊论文
JOURNAL OF HAZARDOUS MATERIALS, 2018, 卷号: 344, 页码: 797-810
作者:  Zhao, Shunzheng;  Yi, Honghong;  Tang, Xiaolong;  Kang, Dongjuan;  Gao, Fengyu
收藏  |  浏览/下载：52/0  |  提交时间：2018/06/11
Mechanism of activity enhancement of the Ni based hydrotalcite-derived materials in carbonyl sulfide removal 期刊论文
MATERIALS CHEMISTRY AND PHYSICS, 2018, 卷号: 205, 页码: 35-43
作者:  Zhao, Shunzheng;  Yi, Honghong;  Tang, Xiaolong;  Kang, Dongjuan;  Yu, Qingjun
收藏  |  浏览/下载：135/0  |  提交时间：2018/06/11
First-principles GGA plus U calculation investigating the hydriding and diffusion properties of hydrogen in PuH2+x 0 <= x <=, 1 期刊论文
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2018, 卷号: 43, 期号: 29, 页码: 13632-13638
作者:  Yang, Xiaoyong[1];  Yang, Yu[2];  Lu, Yong[3];  Sun, Ziyi[4];  Hussain, Shahid[5]
收藏  |  浏览/下载：3/0  |  提交时间：2019/12/24
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：33/0  |  提交时间：2019/04/23
Structural and antiferromagnetic properties of Sm-doped chrysene 期刊论文
AIP Advances, 2017
作者:  Xiao-Hui Wang;  Guo-Hua Zhong;  Jia-Xing Han;  Xioa-Jia Chen;  Hai-Qing Lin,
收藏  |  浏览/下载：14/0  |  提交时间：2018/02/02
Electronic Structures and Magnetism of Rutile TiO2 with Vacancy Defects from First Principles: GGA plus U Calculations 期刊论文
JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM, 2017, 卷号: 30, 期号: 1, 页码: 243-249
作者:  Yang J(杨静);  Guo, XT;  Yang, J;  Chen, Y;  Li, RQ
收藏  |  浏览/下载：19/0  |  提交时间：2019/08/27

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