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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
Authors:  Liu, Benkang;  Wang, Yanqiu;  Wang, Li;  Wang L(王利)
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A Reactive Molecular Dynamics Study of n‑Heptane9;Heptane Pyrolysis at High 期刊论文
Journal of Physical Chemistry A, 2013, 卷号: 117, 期号: 16, 页码: 3266
Authors:  丁俊霞;  张亮;  张岩;  韩克利
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Nonadiabatic ab initio molecular dynamics of photoisomerization in bridged azobenzene 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2012, 卷号: 137, 期号: 20, 页码: 2043051
Authors:  Gao, Ai-Hua;  Li, Bin;  Zhang, Pei-Yu;  Han, Ke-Li;  Han KL(韩克利)
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Molecular dynamics simulation exploration of unfolding and refolding of a ten-amino acid miniprotein 期刊论文
AMINO ACIDS, 2012, 卷号: 43, 期号: 2, 页码: 557-565
Authors:  Zhao, Guang-Jiu;  Cheng, Chang-Li;  Zhao GJ(赵广久)
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Protein Folding  Protein Unfolding  Hydrogen Bond  Beta-hairpin  Steered Molecular Dynamics  
Hybrid functionals studies of structural and electronic properties of ZnxCd(1Lx)S and (ZnxCd1Lx)(SexS1Lx) solid solution photocatalysts 期刊论文
International Journal of Hydrogen Energy, 2012, 卷号: 37, 页码: 17870
Authors:  Huang JD(黄金斗);  Liu JY(刘建勇);  Han KL(韩克利)
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Understanding electron-withdrawing substituent effect on structural, electronic and charge transport properties of perylene bisimide derivatives 期刊论文
ORGANIC ELECTRONICS, 2011, 卷号: 12, 期号: 11, 页码: 1806-1814
Authors:  Chai, Shuo;  Wen, Shu-Hao;  Han, Ke-Li;  Han KL(韩克利)
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Charge Transport  Anisotropic Mobility  Density Functional Theory  Electron-withdrawing  N-type  
Molecular dynamics simulation reveals preorganization of the chloroplast FtsY towards complex formation induced by GTP binding 期刊论文
JOURNAL OF STRUCTURAL BIOLOGY, 2011, 卷号: 173, 期号: 1, 页码: 57-66
Authors:  Yang, Ming-Jun;  Pang, Xue-Qin;  Zhang, Xin;  Han, Ke-Li;  Han KL(韩克利)
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Signal Recognition Particle  Srp Gtpase  Protein Targeting Reaction  Chloroplast Srp System  Protein-protein Interaction  
Molecular dynamics simulations reveal structural coordination of Ffh-FtsY heterodimer 期刊论文
Proteins, 2011, 卷号: 待补充, 期号: 待补充, 页码: 1774
Authors:  Yang MJ(杨明俊);  Zhang X(张鑫)
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Computational study on the addition of HCN to methanimine catalyzed by formamidine and formamide 期刊论文
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2005, 卷号: 713, 期号: 1-3, 页码: 51-57
Authors:  Li, J;  Han, KL;  He, GZ;  Han KL(韩克利);  Han KL(韩克利)
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Strecker Reaction  Dfi  B3lyp  Mp2  Formamide  Formamidic Acid