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Mechanistic Quantification of Thermodynamic Stability and Mechanical Strength for Two-Dimensional Transition-Metal Carbides 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2018, 卷号: 122, 期号: 8, 页码: 4710-4722
作者:  Fu, Zhongheng;  Zhang, Hang;  Si, Chen;  Legut, Dominik;  Germann, Timothy C.
收藏  |  浏览/下载:37/0  |  提交时间:2018/12/04
Probing the Influence of Phosphonate Bonding Modes to Uranium(VI) on Structural Topology and Stability: A Complementary Experimental and Computational Investigation 期刊论文
INORGANIC CHEMISTRY, 2015, 卷号: 54, 期号: 8, 页码: 3864-3874
作者:  Zheng, T;  Wu QY(吴群燕);  Wu, QY;  Gao, Y;  Gui, DX
收藏  |  浏览/下载:35/0  |  提交时间:2016/04/18
Spectroscopic study and electronic structure of prototypical iron porphyrins and their mu-oxo-dimer derivatives with different functional configurations 期刊论文
RSC ADVANCES, 2014, 卷号: 4, 期号: 87, 页码: 46399-46406
作者:  Xu W(徐伟);  Xu, W;  Dziedzic-Kocurek, K;  Yu, M;  Wu, Z
收藏  |  浏览/下载:20/0  |  提交时间:2016/04/08
An efficient first-principle approach for electronic structures calculations of nanomaterials 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2008, 卷号: 29, 期号: 3, 页码: 434-444
作者:  Gao B(高斌);  Gao, B;  Jiang, J;  Liu, K;  Wu, ZY
收藏  |  浏览/下载:20/0  |  提交时间:2016/06/28


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