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Imaging the Pair-Correlated HNCO Photodissociation: The NH(a1Δ) + CO(X1Σ+) Channel 期刊论文
Journal of Physical Chemistry A, 2014, 卷号: 118, 期号: 13, 页码: 2413
Authors:  Zhang ZG(张志国);  Chen ZC(陈志超);  Huang CS(黄存顺);  Chen Y(陈旸);  Dai DX(戴东旭);  David H. Park;  Yang XM(杨学明)
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UNDERSTANDING THE MOLECULAR MECHANISM OF BINDING MODES OF AURORA A INHIBITORS BY LONG TIME SCALE GPU DYNAMICS 期刊论文
JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY, 2013, 卷号: 12, 期号: 8, 页码: 1341003
Authors:  Fu, Ting;  Wu, Xue;  Xiu, Zhilong;  Wang, Jinguang;  Yin, Liu;  Li, Guohui;  Li GH(李国辉)
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Aurora a  Molecular Dynamics Simulations  Mm-pb/gbsa  
3-Acyl-5-hydroxybenzofuran derivatives as potential anti-estrogen breast cancer agents: A combined experimental and theoretical investigation 期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2013, 卷号: 23, 期号: 16, 页码: 4617-4621
Authors:  Li, Xiao-Yan;  He, Bi-Feng;  Luo, Hua-Jun;  Huang, Nian-Yu;  Deng, Wei-Qiao;  Deng WQ(邓伟侨)
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3-acyl-5-hydroxybenzofuran  Breast Cancer  Estrogen Receptor Alpha (Er Alpha)  Quantum Mechanics Polarized Ligand Docking (Qpld)  
Wagging motion of hydrogen-bonded wire in the excited-state multiple proton transfer process of 7-hydroxyquinoline (NH3)3 cluster 期刊论文
Spectrochimica Acta A, 2013, 卷号: 112, 页码: 257
Authors:  Liu YH(刘宇辉);  Lan SC(兰生成);  Chun-Ran Li
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stereodynamics properties of the F+H(D)O (v, j) →H(D)F+O reaction on the 1A and 3A potential energy surfaces by quasi-classical trajectory: initial excitation effect (v=1-3, j=0 and v=0, j=1-3) 期刊论文
Chinese Physics B(中国期刊), 2013, 卷号: 22, 期号: 6, 页码: 063401
Authors:  赵丹;  楚天舒;  郝策
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STEREODYNAMICS, MASS EFFECT AND DOCKING FROM O(3P)+HD →OH +D AT Ecol=0:4-1.0 eV AND O(3P)+HD →OD+H AT Ecol=0:5-1.0 eV 期刊论文
Journal of Theoretical and Computational Chemistry, 2013, 卷号: 12, 期号: 1, 页码: 1250104
Authors:  赵(吴)为克
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COMPARING FOLDING MECHANISMS OF DIFFERENT PRION PROTEINS BY Go MODEL 期刊论文
Journal of Theoretical and Computational Chemistry, 2013, 卷号: 12, 期号: 8, 页码: 1341004
Authors:  Wu X(吴雪);  Fu T(付婷);  ZHI-LONG XIU;  LIU YIN;  JIN-GUANG WANG;  Li GH(李国辉)
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