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A Facile Strategy to Construct Amorphous Spinel-Based Electrocatalysts with Massive Oxygen Vacancies Using Ionic Liquid Dopant 期刊论文
ADVANCED ENERGY MATERIALS, 2018, 卷号: 8, 期号: 27
作者:  Sun, Jing;  Guo, Niankun;  Shao, Zhiyu;  Huang, Keke;  Li, Yaowen
收藏  |  浏览/下载:69/0  |  提交时间:2019/04/09
Revisiting the GW approach to d- and f-electron oxides 期刊论文
PHYSICAL REVIEW B, 2018, 卷号: 97, 期号: 24
作者:  Jiang, Hong
收藏  |  浏览/下载:12/0  |  提交时间:2019/04/09
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:43/0  |  提交时间:2019/04/09
Gas-phase hydration of glyoxylic acid: Kinetics and atmospheric implications 期刊论文
CHEMOSPHERE, 2017, 卷号: 186, 页码: 430-437
作者:  Liu, Ling;  Zhang, Xiuhui;  Li, Zesheng;  Zhang, Yunhong;  Ge, Maofa
收藏  |  浏览/下载:25/0  |  提交时间:2018/07/02
Modeling sigma-Bond Activations by Nickel(0) Beyond Common Approximations: How Accurately Can We Describe Closed-Shell Oxidative Addition Reactions Mediated by Low-Valent Late 3d Transition Metal? 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2017, 卷号: 13, 期号: 10, 页码: 4841-4853
作者:  Hu, Lianrui;  Chen, Kejuan;  Chen, Hui
收藏  |  浏览/下载:17/0  |  提交时间:2018/07/03
Charge transport in organic donor-acceptor mixed-stack crystals: the role of nonlocal electron-phonon couplings 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017, 卷号: 19, 期号: 6, 页码: 4418-4425
作者:  Zhu, Lingyun;  Geng, Hua;  Yi, Yuanping;  Wei, Zhixiang
收藏  |  浏览/下载:26/0  |  提交时间:2018/01/12
Structures and electronic properties of B3Sin- (n=4-10) clusters: A combined ab initio and experimental study 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2017, 卷号: 146, 期号: 4
作者:  Wu, Xue;  Lu, Sheng-Jie;  Liang, Xiaoqing;  Huang, Xiaoming;  Qin, Ying
收藏  |  浏览/下载:15/0  |  提交时间:2018/01/12
Uncovering the Intramolecular Emission and Tuning the Nonlinear Optical Properties of Organic Materials by Cocrystallization 期刊论文
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2016, 卷号: 55, 期号: 45, 页码: 14023-14027
作者:  Zhu, Weigang;  Zhu, Lingyun;  Sun, Lingjie;  Zhen, Yonggang;  Dong, Huanli
收藏  |  浏览/下载:26/0  |  提交时间:2016/12/29
Quantum-chemical study of the structure and magnetic properties of mono- and binuclear Cu(II) complexes with 1,3-bis(3-(pyrimidin-2-yl)-1H-1,2,4-triazol-5-yl)propane 期刊论文
RUSSIAN JOURNAL OF INORGANIC CHEMISTRY, 2016, 卷号: 61, 期号: 5, 页码: 588-593
作者:  Baryshnikova, A. T.;  Minaev, B. F.;  Baryshnikov, G. V.;  Sun, W-H.
收藏  |  浏览/下载:10/0  |  提交时间:2017/01/18
Bioinspired Design and Computational Prediction of Iron Complexes with Pendant Amines for the Production of Methanol from CO2 and H-2 期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2016, 卷号: 7, 期号: 6, 页码: 1035-1041
作者:  Chen, Xiangyang;  Yang, Xinzheng
收藏  |  浏览/下载:11/0  |  提交时间:2017/01/23


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