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Atomic and molecular adsorption on RhMn alloy surface: A first principles study 期刊论文
journal of chemical physics, 2008, 卷号: 129, 期号: 24, 页码: 244711-1-244711-8
作者:  Ma, Xiufang;  Deng, Huiqiu;  Yang, Ming-Mei;  Li, Wei-Xue
收藏  |  浏览/下载：119/0  |  提交时间：2010/11/30
First-principles study of the structural stability and electronic properties of zns nanowires 期刊论文
Journal of physical chemistry c, 2008, 卷号: 112, 期号: 51, 页码: 20291-20294
作者:  Xu, Hu;  Li, Yu;  Rosa, A. L.;  Frauenheim, Th.;  Zhang, R. Q.
收藏  |  浏览/下载：27/0  |  提交时间：2019/05/10
Crystal structure prediction of LiBeH3 using ab initio total-energy calculations and evolutionary simulations 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2008, 卷号: 129, 期号: 23, 页码: 12
作者:  Hu, Chao-Hao;  Oganov, A. R.;  Wang, Y. M.;  Zhou, H. Y.;  Lyakhov, A.
收藏  |  浏览/下载：1/0  |  提交时间：2021/02/02
Crystal structure prediction of LiBeH3 using ab initio total-energy calculations and evolutionary simulations 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2008, 卷号: 129, 期号: 23, 页码: 12
作者:  Hu, Chao-Hao;  Oganov, A. R.;  Wang, Y. M.;  Zhou, H. Y.;  Lyakhov, A.
收藏  |  浏览/下载：2/0  |  提交时间：2021/02/02
DFT and experimental investigations of the formation and adsorption of enolic species on Al2O3 catalyst 期刊论文
JOURNAL OF MOLECULAR STRUCTURE, 2008, 卷号: 892, 期号: 2015-01-03, 页码: 320-324
Gao, Hongwei; He, Hong; Yu, Yunbo; Yan, Tingxia
收藏  |  浏览/下载：33/0  |  提交时间：2015/08/20
DRIFTS investigation and DFT calculation of the adsorption of CO on Pt/TiO(2), Pt/CeO(2) and FeO(x)/Pt/CeO(2) 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2008, 卷号: 71, 期号: 4, 页码: 1193-1198
作者:  Gao, Hongwei;  Xu, Wenqing;  He, Hong;  Shi, Xiaoyan;  Zhang, Xiuli
收藏  |  浏览/下载：40/0  |  提交时间：2015/08/20
Experimental and theoretical studies of surface nitrate species on Ag/Al(2)O(3) using DRIFTS and DFT 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2008, 卷号: 71, 期号: 4, 页码: 1446-1451
作者:  Zhang, Xiuli;  He, Hong;  Gao, Hongwei;  Yu, Yunbo
收藏  |  浏览/下载：40/0  |  提交时间：2015/08/20
Theoretical investigation on molecular rectification on the basis of asymmetric substitution and proton transfer reaction 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2008, 卷号: 129, 期号: 22
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收藏  |  浏览/下载：6/0  |  提交时间：2014/12/05
Effect of Polyene Chain Length on the Photophysical Properties in Diphenpolyenes 期刊论文
CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE, 2008, 卷号: 29, 期号: 12, 页码: 2435-2439
作者:  Peng Qian;  Niu Ying-Li;  Shuai Zhi-Gang
收藏  |  浏览/下载：12/0  |  提交时间：2019/04/09
Comparison Between [Fe-IV (O) (TMC) (NCMe)](2+) and [Fe-IV (O) (TMCS)](+) Non-heme Complexes of Geometric, Electronic Structures, Bonding and Reactivities 期刊论文
chemical journal of chinese universities-chinese, 2008, 卷号: 29, 期号: 12, 页码: 2469-2473
作者:  Wang Yi;  Wang Yong;  Han Ke-Li
收藏  |  浏览/下载：23/0  |  提交时间：2015/11/11

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