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| Probing glassiness in Heuslers via density functional theory calculations 其他
2018-01-01
作者: Entel, P.; Gruner, M. E.; Acet, M.; Hucht, A.; Çakır, A.
  收藏 | 浏览/下载：2/0 | 提交时间：2019/11/19 |
| In situ dynamic tracking of heterogeneous nanocatalytic processes by shell-isolated nanoparticle-enhanced Raman spectroscopy 其他
2017-05-01
Hua Zhang; 张华; Chen Wang; 王琛; Han-Lei Sun; 孙菡蕾; Gang Fu; 傅钢; Shu Chen; 陈舒; Yue-Jiao Zhang; 张月皎; Bing-Hui Chen; 陈秉辉; Jason R. Anema; Zhi-Lin Yang; 杨志林; Jian-Feng Li; 李剑锋; Zhong-Qun Tian
收藏 | 浏览/下载：8/0 | 提交时间：2017/05/27 |
| CCCCC pentadentate chelates with planar Möbius aromaticity and unique properties 其他
2016-08-26
Congqing Zhu; 朱从青; Caixia Yang; 杨彩霞; Yongheng Wang; 王永恒; Gan Lin; 林凎; Yuhui Yang; 杨宇惠; Xiaoyong Wang; 王晓勇; Jun Zhu; 朱军; Xiaoyuan Chen; 陈小元; Xin Lu; 吕鑫; Gang Liu; 刘刚; Haiping Xia; 夏海平
收藏 | 浏览/下载：10/0 | 提交时间：2016/09/05
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| Theoretical Investigation on Hydrogen-related Oxide Traps in HfO_2 Gate Dielectrics: An ab-initio Study 其他
2016-01-01
Yawen Zhang; Peng Hao; Runsheng Wang; Jingwei Ji; Ru Huang
收藏 | 浏览/下载：6/0 | 提交时间：2017/12/03
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| First-principles Study on the Vibrational and Thermodynamic Properties of KAlSi_3O_8 Hollandite 其他
2014-01-01
Linlin Chang; Tao Sun; Xi Liu
收藏 | 浏览/下载：5/0 | 提交时间：2017/12/03
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| Magneto-Structural Correlations in a Family of M~(Ⅱ)Re~(Ⅳ)(CN)_2 Single-Chain Magnets:Density Functional Theory and Ab Initio Calculations 其他
2014-01-01
Yi-Quan Zhang; Bing-Wu Wang; Song Gao
收藏 | 浏览/下载：3/0 | 提交时间：2017/12/03
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| Hybrid preconditioning for iterative diagonalization of ill-conditioned generalized eigenvalue problems in electronic structure calculations 其他
2013-01-01
Cai, Yunfeng; Bai, Zhaojun; Pask, John E.; Sukumar, N.
收藏 | 浏览/下载：3/0 | 提交时间：2015/11/10
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| Efficient iterative method for solving the Dirac-Kohn-Sham density functional theory 其他
2013-01-01
Lin, Lin; Shao, Sihong; Weinan, E.
收藏 | 浏览/下载：6/0 | 提交时间：2015/11/11
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| Linear Scaling Discontinuous Galerkin Density Matrix Minimization Method with Local Orbital Enriched Finite Element Basis: 1-D Lattice Model System 其他
2013-01-01
Lu, Tiao; Cai, Wei; Xin, Jianguo; Guo, Yinglong
收藏 | 浏览/下载：2/0 | 提交时间：2015/11/13
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| On the delithiation mechanism of Li2FeSiO4-ySy compounds: A first-principles investigation 其他
2013-01-01
Li, Yunsong; Cheng, Xuan; Zhang, Ying; 程璇
收藏 | 浏览/下载：15/0 | 提交时间：2015/07/22
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