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Structure evolution of chromium-doped boron clusters: toward the formation of endohedral boron cages 期刊论文
Rsc advances, 2019, 卷号: 9, 期号: 5, 页码: 2870-2876
作者:  Shao, Xuecheng;  Qu, Xin;  Liu, Siyu;  Yang, Lihua;  Yang, Jinghai
收藏  |  浏览/下载:79/0  |  提交时间:2019/05/09
Efficient reconstruction of cas-ci-type wave functions for a dmrg state using quantum information theory and a genetic algorithm 期刊论文
Journal of chemical theory and computation, 2017, 卷号: 13, 期号: 10, 页码: 4699-4710
作者:  Luo, Zhen;  Ma, Yingjin;  Liu, Chungen;  Ma, Haibo
收藏  |  浏览/下载:25/0  |  提交时间:2019/05/09
Site preference, structural and magnetic properties of la3co29-xnixsi4b10 predicted by first-principles calculations 期刊论文
Computational materials science, 2017, 卷号: 138, 页码: 412-418
作者:  Ren, Jie;  Wang, Xiaoxu
收藏  |  浏览/下载:23/0  |  提交时间:2019/05/09
Gpu implementation of the linear scaling three dimensional fragment method for large scale electronic structure calculations 期刊论文
Computer physics communications, 2017, 卷号: 211, 页码: 8-15
作者:  Jia, Weile;  Wang, Jue;  Chi, Xuebin;  Wang, Lin-Wang
收藏  |  浏览/下载:39/0  |  提交时间:2019/05/09
The origin of p-type conduction in li-n codoped zno: an ab initio calculation study 期刊论文
Journal of applied physics, 2011, 卷号: 110, 期号: 1, 页码: 5
作者:  Tang, Xin;  Cheng, Xiangfeng;  Wagner, Dustin;  Lue, Haifeng;  Zhang, Qingyu
收藏  |  浏览/下载:19/0  |  提交时间:2019/05/09
First-principles study on the electronic structures and structural stability of cd-doped zno 期刊论文
Acta physica sinica, 2011, 卷号: 60, 期号: 3, 页码: 9
作者:  Pu Chun-Ying;  Tang Xin;  Lu Hai-Feng;  Zhang Qing-Yu
收藏  |  浏览/下载:18/0  |  提交时间:2019/05/09
Study on interactions between cadmium and defects in cd-doped zno by first-principle calculations 期刊论文
Solid state sciences, 2011, 卷号: 13, 期号: 2, 页码: 384-387
作者:  Tang, Xin;  Lue, Haifeng;  Zhang, Qingyu;  Zhao, Jijun;  Lin, Yuyuan
收藏  |  浏览/下载:19/0  |  提交时间:2019/05/09
Study on the doping stability and electronic structure of wurtzite zn1-xcdxo alloys by first-principle calculations 期刊论文
Journal of physics and chemistry of solids, 2010, 卷号: 71, 期号: 3, 页码: 336-339
作者:  Tang, Xin;  Lu, Hai-Feng;  Zhao, Ji-Jun;  Zhang, Qing-Yu
收藏  |  浏览/下载:17/0  |  提交时间:2019/05/09
Ab initio investigations on the electronic structure and optical properties of hx-zno 期刊论文
Physics letters a, 2008, 卷号: 372, 期号: 32, 页码: 5372-5376
作者:  Tang, X.;  Lu, H. F.;  Ma, C. Y.;  Zhao, J. J.;  Zhang, Q. Y.
收藏  |  浏览/下载:25/0  |  提交时间:2019/05/09
Neural network correction for heats of formation with a larger experimental training set and new descriptors 期刊论文
Chemical physics letters, 2005, 卷号: 410, 期号: 1-3, 页码: 125-130
作者:  Duan, XM;  Li, ZH;  Song, GL;  Wang, WN;  Chen, GH
收藏  |  浏览/下载:17/0  |  提交时间:2019/05/09


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