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Early Stage Solvation of Protonated Methanol by Carbon Dioxide 期刊论文
chinese journal of chemical physics, 2015, 卷号: 28, 期号: 4, 页码: 501-508
作者:  Zhao, Zhi;  Kong, Xiang-tao;  Lei, Xin;  Zhang, Bing-bing;  Zhao, Ji-jun
收藏  |  浏览/下载：18/0  |  提交时间：2015/11/16
Equation-of-motion coupled-cluster method for doubly ionized states with spin-orbit coupling 期刊论文
journal of chemical physics, 2015, 卷号: 142, 期号: 14, 页码: 144109
作者:  Wang, Zhifan;  Hu, Shu;  Wang, Fan;  Guo, Jingwei
收藏  |  浏览/下载：20/0  |  提交时间：2015/11/16
Effect of Surface Structure on the Photoreactivity of TiO2 期刊论文
journal of physical chemistry c, 2015, 卷号: 119, 期号: 11, 页码: 6121-6127
作者:  Mao, Xinchun;  Wang, Zhiqiang;  Lang, Xiufeng;  Hao, Qunqing;  Wen, Bo
收藏  |  浏览/下载：24/0  |  提交时间：2015/11/16
Non-adiabatic dynamics of isolated green fluorescent protein chromophore anion 期刊论文
journal of chemical physics, 2014, 卷号: 141, 期号: 23, 页码: 235101
作者:  Zhao, Li;  Zhou, Pan-Wang;  Li, Bin;  Gao, Ai-Hua;  Han, Ke-Li
收藏  |  浏览/下载：16/0  |  提交时间：2015/11/16
Time-dependent quantum wave packet and quasiclassical trajectory studies of the Au(S-2) + H-2(X-1 n-ary sumation (+)(g)) -> AuH(X-1 n-ary sumation (+)(g)) + H(S-2) reaction 期刊论文
molecular physics, 2014, 卷号: 112, 期号: 22, 页码: 2945-2953
作者:  Yuan, Jiuchuang;  Cheng, Dahai;  Sun, Zhigang;  Chen, Maodu
收藏  |  浏览/下载：16/0  |  提交时间：2015/11/16
Bridging the Missing Link between Structure and Fidelity of the RNA-Dependent RNA Polymerase from Poliovirus through Free Energy Simulations 期刊论文
journal of chemical theory and computation, 2014, 卷号: 10, 期号: 11, 页码: 5195-5205
作者:  Shen, Hujun;  Li, Guohui
收藏  |  浏览/下载：25/0  |  提交时间：2015/11/16
Octacoordinate Metal Carbonyls of Lanthanum and Cerium: Experimental Observation and Theoretical Calculation 期刊论文
journal of physical chemistry a, 2014, 卷号: 118, 期号: 40, 页码: 9380-9385
作者:  Xie, Hua;  Wang, Jie;  Qin, Zhengbo;  Shi, Lei;  Tang, Zichao
收藏  |  浏览/下载：21/0  |  提交时间：2015/11/16
Hydrogen bonding tunes the early stage of hydrogen-atom abstracting reaction 期刊论文
physical chemistry chemical physics, 2014, 卷号: 16, 期号: 33, 页码: 17828-17834
作者:  Yang, Yang;  Liu, Lei;  Chen, Junsheng;  Han, Keli
收藏  |  浏览/下载：14/0  |  提交时间：2015/11/16
Communication: Rigorous quantum dynamics of O + O-2 exchange reactions on an ab initio potential energy surface substantiate the negative temperature dependence of rate coefficients 期刊论文
journal of chemical physics, 2014, 卷号: 141, 期号: 8, 页码: 081102
作者:  Li, Yaqin;  Sun, Zhigang;  Jiang, Bin;  Xie, Daiqian;  Dawes, Richard
收藏  |  浏览/下载：23/0  |  提交时间：2015/11/16
Single Pd Atom Embedded in CeO2(111) for NO Reduction with CO: A First-Principles Study 期刊论文
journal of physical chemistry c, 2014, 卷号: 118, 期号: 23, 页码: 12216-12223
作者:  Ding, Wu-Chen;  Gu, Xiang-Kui;  Su, Hai-Yan;  Li, Wei-Xue
收藏  |  浏览/下载：21/0  |  提交时间：2015/11/16

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