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Energy Decomposition Scheme Based on the Generalized Kohn-Sham Scheme 期刊论文
http://dx.doi.org/10.1021/jp500405s, 2014
Su, Peifeng; Jiang, Zhen; Chen, Zuochang; Wu, Wei; 苏培峰; 吴玮
收藏  |  浏览/下载：4/0  |  提交时间：2015/07/22
In Search of Flexible Molecular Wires with Near Conformer-Independent Conjugation and Conductance: A Computational Study 期刊论文
http://dx.doi.org/10.1021/jp409767r, 2014
Emanuelsson, Rikard; Lofas, Henrik; Zhu, Jun; Ahuja, Rajeev; Grigoriev, Anton; Ottosson, Henrik; 朱军
收藏  |  浏览/下载：5/0  |  提交时间：2015/07/22
Cyclization Reactions of Anode-Generated Amidyl Radicals 期刊论文
http://dx.doi.org/10.1021/jo402623r, 2014
Xu, Hai-Chao; Campbell, John M.; Moeller, Kevin D.; 徐海超
收藏  |  浏览/下载：3/0  |  提交时间：2015/07/22
Assessment of the atomic mobility for the fcc phase of Ni-Co-X (X=Re and Ru) system 期刊论文
http://dx.doi.org/10.1016/j.calphad.2013.12.003, 2014
Liu, X. J.; Lin, J. Y.; Lu, Y.; Guo, Y. H.; Wang, C. P.; 刘兴军; 王翠萍; 卢勇
收藏  |  浏览/下载：4/0  |  提交时间：2015/07/22
Thermodynamic assessment of the Sb-Sm and Sm-Sn systems 期刊论文
http://dx.doi.org/10.1016/j.calphad.2014.07.002, 2014
Liu, X.J; Chen, M.H.; Lu, Y.; Huang, Y; Wang, D.; He, Q.; Zhao, D.L.; Wang, C.; 刘兴军; 王翠萍
收藏  |  浏览/下载：3/0  |  提交时间：2015/07/22
Experimental investigation and thermodynamic calculation of the phase equilibria in the Fe-Ni-V system 期刊论文
http://dx.doi.org/10.1016/j.calphad.2014.02.004, 2014
Zhao, C.C.; Yang, S.; Lu, Y.; Guo, Y.H.; Wang, C.; Liu, X.J; 王翠萍; 刘兴军
收藏  |  浏览/下载：2/0  |  提交时间：2015/07/22
Alkali metal ions transfer across the water/1,2-dichloroethane interface facilitated by a series of crown ethers 期刊论文
http://dx.doi.org/10.1039/c3ay40643a, 2013
Girma, Girum; Yu, Li-Juan; Huang, Li; Jin, Shan; Wu, De-Yin; Zhan, Dongping; 吴德印; 詹东平
收藏  |  浏览/下载：3/0  |  提交时间：2015/07/22
A Theoretical Study of the Mechanism for Allylic Ether Isomerization 期刊论文
http://dx.doi.org/10.6023/A13680836, 2013
Wang Hong; He Qiao; Tan Kai; 王红; 谭凯
收藏  |  浏览/下载：4/0  |  提交时间：2015/07/22
Theoretical Study of Substituent Effects on Bond Dissociation Enthalpies in Lignite Model Compounds 期刊论文
http://dx.doi.org/10.6023/A13030318, 2013
Wang Xinhua; Feng Li; Cao Zexing; Liu Xiangchun; Tang Haiyan; Zhang Man; 曹泽星
收藏  |  浏览/下载：5/0  |  提交时间：2015/07/22
Electronic and optical properties of the triphenylamine-based organic dye sensitized TiO2 semiconductor: insight from first principles calculations 期刊论文
http://dx.doi.org/10.1039/c3cp51019k, 2013
Liang, Jinxia; Zhu, Chun; Cao, Zexing; 曹泽星
收藏  |  浏览/下载：5/0  |  提交时间：2015/07/22

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