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| Localization of open-shell molecular orbitals via least change from fragments to molecule 期刊论文 JOURNAL OF CHEMICAL PHYSICS, 2017 Li, Hongyang; Liu, Wenjian; Suo, Bingbing 收藏  |  浏览/下载:6/0  |  提交时间:2017/12/03
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| Understanding the Microsolvation of Salts in Molecular Clusters 期刊论文 国际量子化学杂志, 2015 Liu, Cheng-Wen; Gao, Yi Qin 收藏  |  浏览/下载:4/0  |  提交时间:2015/11/10
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| The intrinsic conformational features of amino acids from a protein coil library and their applications in force field development 期刊论文 physical chemistry chemical physics, 2013 Jiang, Fan; Han, Wei; Wu, Yun-Dong 收藏  |  浏览/下载:4/0  |  提交时间:2015/11/11
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| Ab initio study of shock compressed oxygen 期刊论文 journal of chemical physics, 2010 Wang, Cong; Zhang, Ping 收藏  |  浏览/下载:4/0  |  提交时间:2015/11/12
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| Theoretical study of electric field-induced intramolecular electron transfer in donor-acceptor pairs via the rigid space and their suitability as molecular electronic devices 期刊论文 国际量子化学杂志, 2006 Lu, SZ 收藏  |  浏览/下载:6/0  |  提交时间:2015/11/12
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| Molecular orbital studies on brominated diphenyl ethers. Part I - conformational properties 期刊论文 chemosphere, 2005 Hu, JW; Eriksson, L; Bergman, A; Kolehmainen, E; Knuutinen, J; Suontamo, R; Wei, XH 收藏  |  浏览/下载:7/0  |  提交时间:2015/11/11
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| 锂离子二次电池正极材料镍酸锂的量子化学研究 其他 2003-01-01 何希兵; 其鲁; 王银杰; 王祥云 收藏  |  浏览/下载:2/0  |  提交时间:2015/10/24
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