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CORC

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Beauty, Symmetry, and Magnetocaloric Effect-Four-Shell Keplerates with 104 Lanthanide Atoms 期刊论文
2014
Jun-Bo Peng; 彭军波; Xiang-Jian Kong; 孔祥建; Qian-Chong Zhang; 张庆红; Martin Orendáč ( Safarik Univ, Fac Sci, Ctr Low Temp Phys, Kosice 04154, Slovakia and Inst Expt Phys SAS, Kosice 04154, Slovakia); Jan Prokleška ( Charles Univ Prague, Fac Math & Phys, Dept Condensed Matter Phys, CZ-12116 Prague 2, Czech Republic); Yan-Ping Ren; 任艳萍; La-Sheng Long; 龙腊生; Zhiping Zheng; 郑智平; Lan-Sun Zheng; 郑兰荪
收藏  |  浏览/下载：15/0  |  提交时间：2015/04/02
Concerted or Stepwise Mechanism? New Insight into the Water-Mediated Neutral Hydrolysis of Carbonyl Sulfide 期刊论文
http://dx.doi.org/10.1021/jp5021559, 2014
Li, Xiao-Hong; Ren, Si-Jia; Wei, Xi-Guang; Zeng, Yi; Gao, Guo-Wei; Ren, Yi; Zhu, Jun; Lau, Kai-Chung; Li, Wai-Kee; 朱军
收藏  |  浏览/下载：4/0  |  提交时间：2015/07/22
受限于单壁碳纳米管中水分子结构、能量以及振动频率的密度泛函研究 期刊论文
2014
王新华; 冯莉; 曹泽星
收藏  |  浏览/下载：4/0  |  提交时间：2016/05/17
Effects of solvent systems on two silver coordination complexes: From discrete structure to 2D sheet 期刊论文
http://dx.doi.org/10.1016/j.molstruc.2013.11.033, 2014
Wang, Dan-Feng; Wang, Zhan-Hui; Lu, Bo-Wei; Chen, Shu-Fen; Zhang, Ting; Huang, Rong-Bin; Zheng, Lan-Sun; 黄荣彬; 郑兰荪
收藏  |  浏览/下载：5/0  |  提交时间：2015/07/22
Cluster linker approach: Preparation of a luminescent porous framework with NbO Topology by linking silver ions with gold(i) clusters 期刊论文
http://dx.doi.org/10.1002/anie.201406761, 2014
Lei, Zhen; Pei, Xiao-Li; Jiang, Zhan-Guo; Wang, Quan-Ming; 王泉明
收藏  |  浏览/下载：3/0  |  提交时间：2015/07/22
Analytical derivative techniques for TDDFT excited-state properties: Theory and application 期刊论文
http://dx.doi.org/10.1007/s11426-013-5006-6, 2014
Chen DanPing; Liu Jie; Ma HuiLi; Zeng Qiao; Liang WanZhen; 刘婕; 梁万珍
收藏  |  浏览/下载：4/0  |  提交时间：2015/07/22
La-O小团簇上超氧物种与过氧物种间的连接途径(英文) 期刊论文
2013
夏文生; 张达; 翁维正; 万惠霖
收藏  |  浏览/下载：3/0  |  提交时间：2016/05/17
Binding interaction and raman spectra of p-π conjugated molecules containing CH2/NH2 groups adsorbed on silver surfaces: A DFT study of wagging modes 期刊论文
http://dx.doi.org/10.1021/jp4042777, 2013
Tao, Sha; Yu, Li-Juan; Pang, Ran; Huang, Yi-Fan; Wu, De-Yin; Tian, Zhong-Qun; 吴德印; 田中群
收藏  |  浏览/下载：2/0  |  提交时间：2015/07/22
How water molecules modulate the hydration of CO2 in water solution: Insight from the cluster-continuum model calculations 期刊论文
http://dx.doi.org/10.1002/jcc.23144, 2013
Wang, Binju; Cao, Zexing; 曹泽星
收藏  |  浏览/下载：4/0  |  提交时间：2013/12/12
Accurate prediction of nuclear magnetic resonance shielding constants: Towards the accuracy of CCSD(T) complete basis set limit 期刊论文
http://dx.doi.org/10.1063/1.4796485, 2013
Sun, Meng; Zhang, Igor Ying; Wu, Anan; Xu, Xin; 吴安安; 徐昕
收藏  |  浏览/下载：7/0  |  提交时间：2015/07/22

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