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| 从头计算价键理论中的轨道优化——方法与程序 学位论文 2014, 2014 陈迅 收藏  |  浏览/下载:6/0  |  提交时间:2016/01/12
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| AB模型蛋白质二级结构预测的并行模拟退火算法 学位论文 2014, 2014 吴豪杰 收藏  |  浏览/下载:2/0  |  提交时间:2016/01/12
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| Ab initio nonorthogonal valence bond methods 期刊论文 http://dx.doi.org/10.1002/wcms.1105, 2013 Su, Peifeng; Wu, Wei; 苏培峰; 吴玮 收藏  |  浏览/下载:2/0  |  提交时间:2015/07/22
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| Theoretical study on the hydrogen abstraction reactions of CF3CHFCF3 and CF3CF2CHF2 with X atoms (X = F, Cl, and Br) 期刊论文 http://dx.doi.org/10.1016/j.jfluchem.2013.03.004, 2013 Fan, Yanhua; Wen, Jinmiao; Zhao, Yuan; Wang, Li; 赵媛 收藏  |  浏览/下载:8/0  |  提交时间:2015/07/22
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| Nonorthogonal orbital based N-body reduced density matrices and their applications to valence bond theory I Hamiltonian matrix elements between internally contracted excited valence bond wave functions 期刊论文 http://dx.doi.org/10.1063/1.4801631, 2013 Chen, Zhenhua; Chen, Xun; Wu, Wei; 吴玮 收藏  |  浏览/下载:5/0  |  提交时间:2015/07/22
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| 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
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| Theory and algorithms for the excited states of large molecules and molecular aggregates 期刊论文 http://dx.doi.org/10.1007/s11426-013-4907-8, 2013 Liang, Wanzhen; Wu, Wei; 梁万珍; 吴玮 收藏  |  浏览/下载:2/0  |  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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| Ab Initio Computational Method for Classical Valence Bond Theory 期刊论文 2012 Su Peifeng; 苏培峰; Wu Wei; 吴玮 收藏  |  浏览/下载:2/0  |  提交时间:2013/03/21
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| DFVB: A Density-Functional-Based Valence Bond Method 期刊论文 2012 Ying, Fuming; Su, Peifeng; 苏培峰; Chen, Zhenhua; Shaik, Sason; Wu, Wei; 吴玮 收藏  |  浏览/下载:3/0  |  提交时间:2013/04/07
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