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| DFT and TD-DFT studies on osmacycle dyes with tunable photoelectronic properties for solar cells 期刊论文
http://dx.doi.org/10.1007/s00214-014-1531-4, 2014
Sun, Mingjun; Cao, Zexing; 曹泽星
  收藏 | 浏览/下载：121/0 | 提交时间：2015/07/22
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| A time-dependent density-functional theory and complete active space self-consistent field method study of vibronic absorption and emission spectra of coumarin 期刊论文
http://dx.doi.org/10.1063/1.4885845, 2014
Li, Junfeng; Rinkevicius, Zilvinas; Cao, Zexing; 曹泽星
收藏 | 浏览/下载：3/0 | 提交时间：2015/07/22
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| Computational Insight on the Working Principles of Zinc Porphyrin Dye-Sensitized Solar Cells 期刊论文
http://dx.doi.org/10.1021/jp3125445, 2013
Ju, Ming-Gang; Liang, WanZhen; 梁万珍
收藏 | 浏览/下载：5/0 | 提交时间：2015/07/22
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| A highly fluorescent dinuclear silver(I) complex of pyrazine derivatives: Combined experimental and DFT/TD-DFT investigations 期刊论文
http://dx.doi.org/10.1016/j.poly.2013.03.061, 2013
Alisir, Sevim Hamamci; Demir, Serkan; Topcu, Yildiray; Yang, Shi-Yao; 杨士烑
收藏 | 浏览/下载：3/0 | 提交时间：2015/07/22
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| Acyclic Germylones: Congeners of Allenes with a Central Germanium Atom 期刊论文
http://dx.doi.org/10.1021/ja406112u, 2013
Li, Yan; Mondal, Kartik Chandra; Roesky, Herbert W.; Zhu, Hongping; Stollberg, Peter; Herbst-Irmer, Regine; Stalke, Dietmar; Andrada, Diego M.; 李彦; 朱红平
收藏 | 浏览/下载：2/0 | 提交时间：2015/07/22
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| Nature of Low-Lying Excited States in H-Aggregated Perylene Bisimide Dyes: Results of TD-LRC-DFT and the Mixed Exciton Model 期刊论文
2009
Pan, Fei（Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale）; Gao, Fang（Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale）; Liang, WanZhen（Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale）; Zhao, Yi; 赵仪
收藏 | 浏览/下载：6/0 | 提交时间：2011/04/26 |
| Theoretical study on the electronic spectra of cis-HOOOH and trans-HOOOH 期刊论文
2006
Wang Lian-Bin; Wu Wen-Peng; Zhang Jing-Lai; Cao Ze-Xing; 曹泽星
收藏 | 浏览/下载：3/0 | 提交时间：2011/07/08
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| Theoretical studies on the structures, electronic spectra and ionization energies of linear isoelectronic HC2n+1P and NC2nP (n=1-10) 期刊论文
2006
Zhang, Jinglai; Wu, Wengpeng; Cao, Zexing; 曹泽星
收藏 | 浏览/下载：4/0 | 提交时间：2011/09/22
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| Theoretical study of low-lying states in phosphorus-containing carbon chains PC2nP 期刊论文
2005
Jinglai Zhang; Wenpeng Wu; Zexing Cao; 曹泽星
收藏 | 浏览/下载：4/0 | 提交时间：2011/10/13
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| Structural and spectroscopic properties of linear carbon chains NC2nN and HC2n+1N (n=1 similar to 10) 期刊论文
2005
ZHANG Jing-Lai; WU Wen-Peng; WANG Lian-Bin; CAO Ze-Xing; 曹泽星
收藏 | 浏览/下载：2/0 | 提交时间：2011/11/07
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