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| 具有共轭结构单元的有机二硫化物双硫键的结构及其电子性质的理论研究 期刊论文 2014 王洁琼; 曹泽星 收藏  |  浏览/下载:3/0  |  提交时间:2016/05/17
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| Donor and acceptor levels of organic photovoltaic compounds from first principles 期刊论文 http://dx.doi.org/10.1039/c2cp43491a, 2013 Dabo, Ismaila; Ferretti, Andrea; Park, Cheol-Hwan; Poilvert, Nicolas; Li, Yanli; Cococcioni, Matteo; Marzari, Nicola; 李艳丽 收藏  |  浏览/下载:3/0  |  提交时间:2015/07/22
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| An extended hybrid density functional (X3LYP) with improved descriptions of nonbond interactions and thermodynamic properties of molecular systems 期刊论文 2005 Xin Xu; 徐昕; Qingsong Zhang; Richard P. Muller; William A. Goddard 收藏  |  浏览/下载:2/0  |  提交时间:2011/11/29 |
| The extended Perdew-Burke-Ernzerhof functional with improved accuracy for thermodynamic and electronic properties of molecular systems 期刊论文 http://dx.doi.org/10.1063/1.1771632, 2004 Xu, X; Goddard, WA; 徐昕 收藏  |  浏览/下载:4/0  |  提交时间:2015/07/22
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| Assessment of Handy-Cohen optimized exchange density functional (OPTX) 期刊论文 2004 Xin Xu; 徐昕; William A. Goddard 收藏  |  浏览/下载:1/0  |  提交时间:2011/12/16 |
| The X3LYP extended density functional for accurate descriptions of nonbond interactions, spin states, and thermochemical properties 期刊论文 http://dx.doi.org/10.1073/pnas.0308730100, 2004 Xu, X; Goddard, WA; 徐昕 收藏  |  浏览/下载:3/0  |  提交时间:2015/07/22
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