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锐钛矿TiO2（101）表面电子能带结构的理论研究 期刊论文
http://electrochem.xmu.edu.cn/CN/abstract/abstract10278.shtml, 2017
赵俊杰; 程俊; ZHAO Jun-jie; CHENG Jun
收藏  |  浏览/下载：11/0  |  提交时间：2017/03/14
二元析氧催化剂CoxCr1-xO3/2的制备及性能研究 期刊论文
http://electrochem.xmu.edu.cn/CN/abstract/abstract10154.shtml, 2015
杨太来; 董文燕; 杨慧敏; 张力; 梁镇海; YANG Tai-lai; DONG Wen-yan; YANG Hui-min; ZHANG Li; LIANG Zhen-hai
收藏  |  浏览/下载：4/0  |  提交时间：2015/04/24
Unconventional Facile Way to Metallanaphthalenes from Metal Indenyl Complexes Predicted by DFT Calculations: Origin of Their Different Thermodynamics and Tuning Their Kinetics by Substituents 期刊论文
http://dx.doi.org/10.1021/om500245q, 2014
Fan, Jinglan; Wang, Xuerui; Zhu, Jun; 朱军
收藏  |  浏览/下载：2/0  |  提交时间：2015/07/22
Planar Möbius aromatic pentalenes incorporating 16 and 18 valence electron osmiums 期刊论文
2014
Congqing Zhu; 朱从青; Ming Luo; 罗明; Qin Zhu; 朱琴; Jun Zhu; 朱军; Paul v. R. Schleyer; Judy I-Chia Wu; Xin Lu; 吕鑫; Haiping Xia; 夏海平
收藏  |  浏览/下载：2/0  |  提交时间：2014/02/27
Charge-Shift Bonding Emerges as a Distinct Electron-Pair Bonding Family from Both Valence Bond and Molecular Orbital Theories 期刊论文
http://dx.doi.org/10.1021/ct500367s, 2014
Zhang, Huaiyu; Danovich, David; Wu, Wei; Braida, Benoit; Hiberty, Philippe C.; Shaik, Sason; 吴玮
收藏  |  浏览/下载：4/0  |  提交时间：2015/07/22
Origin of high photocatalytic properties in the mixed-phase TiO 2: A first-principles theoretical study 期刊论文
http://dx.doi.org/10.1021/am502830m, 2014
Ju, Ming-Gang; Sun, Guangxu; Wang, Jiajun; Meng, Qiangqiang; Liang, Wanzhen; 梁万珍
收藏  |  浏览/下载：6/0  |  提交时间：2015/07/22
Planar Mobius aromatic pentalenes incorporating 16 and 18 valence electron osmiums 期刊论文
http://dx.doi.org/10.1038/ncomms4265, 2014
Zhu, Congqing; Luo, Ming; Zhu, Qin; Zhu, Jun; Schleyer, Paul V. R.; Wu, Judy I-Chia; Lu, Xin; Xia, Haiping; 朱军; 夏海平
收藏  |  浏览/下载：4/0  |  提交时间：2015/07/22
Nonorthogonal orbital based N -body reduced density matrices and their applications to valence bond theory IV the automatic implementation of the Hessian based VBSCF method 期刊论文
http://dx.doi.org/10.1063/1.4901729, 2014
Chen, Xun; Chen, Zhenhua; Wu, Wei; 吴玮
收藏  |  浏览/下载：5/0  |  提交时间：2015/07/22
Nonorthogonal orbital based n -body reduced density matrices and their applications to valence bond theory III Second-order perturbation theory using valence bond self-consistent field function as reference 期刊论文
http://dx.doi.org/10.1063/1.4896534, 2014
Chen, Zhenhua; Chen, Xun; Ying, Fuming; Gu, Junjing; Zhang, Huaiyu; Wu, Wei; 吴玮
收藏  |  浏览/下载：4/0  |  提交时间：2015/07/22
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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