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CORC

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Electrochemistry and electrochemiluminescence from a redox-active metal-organic framework 期刊论文
biosensors & bioelectronics, 2015, 卷号: 68, 期号: 1, 页码: 197-203
作者:  Xu, Yang;  Yin, Xue-Bo;  He, Xi-Wen;  Zhang, Yu-Kui
收藏  |  浏览/下载：29/0  |  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：26/0  |  提交时间：2015/11/16
Isotope-Dependent Rotational States Distributions Enhanced by Dynamic Resonance States: A Comparison Study of the F plus HD -> HF(V-HF=2) + D and F + H-2 -> HF(V-HF=2) + H Reaction 期刊论文
journal of physical chemistry letters, 2014, 卷号: 5, 期号: 17, 页码: 3049-3055
作者:  Wang, Tao;  Yang, Tiangang;  Xiao, Chunlei;  Sun, Zhigang;  Huang, Long
收藏  |  浏览/下载：26/0  |  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
Excited-state properties of a blue luminescent covalent organic framework by the time-dependent density-functional tight-binding method 期刊论文
computational and theoretical chemistry, 2014, 卷号: 1030, 期号: 1, 页码: 17-24
作者:  Fan, Guo-Hong;  Li, Xing;  Liu, Jian-Yong;  He, Guo-Zhong
收藏  |  浏览/下载：31/0  |  提交时间：2015/11/16
Nonadiabatic dynamics study of bridged-azobenzene by the time-dependent density functional tight-binding method 期刊论文
computational and theoretical chemistry, 2013, 卷号: 1023, 页码: 10-18
作者:  Fan, Guohong;  Liu, Jianyong;  He, Guozhong
收藏  |  浏览/下载：15/0  |  提交时间：2014/09/11
Experimental observations of s-p coupling in copper dimer anions 期刊论文
physical review a, 2013, 卷号: 88, 期号: 3, 页码: 033413
作者:  Liu, Benkang;  Wang, Yanqiu;  Wang, Li
收藏  |  浏览/下载：17/0  |  提交时间：2014/09/11
Molecular Design of UV-vis Absorption and Emission Properties in Organic Fluorophores: Toward Larger Bathochromic Shifts, Enhanced Molar Extinction Coefficients, and Greater Stokes Shifts 期刊论文
journal of physical chemistry c, 2013, 卷号: 117, 期号: 32, 页码: 16584-16595
作者:  
收藏  |  浏览/下载：17/0  |  提交时间：2014/09/11
A simple but effective modeling strategy for structural properties of non-heme Fe(II) sites in proteins: Test of force field models and application to proteins in the AlkB family 期刊论文
journal of computational chemistry, 2013, 卷号: 34, 期号: 19, 页码: 1620-1635
作者:  Pang, Xueqin;  Han, Keli;  Cui, Qiang
收藏  |  浏览/下载：15/0  |  提交时间：2014/09/11
Quantum dynamics study on the exchange H + OH+ reaction 期刊论文
computational and theoretical chemistry, 2013, 卷号: 1012, 页码: 1-7
作者:  Xu, Wenwu;  Li, Wenliang;  Zhang, Peiyu
收藏  |  浏览/下载：22/0  |  提交时间：2014/09/11

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