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REMPI and MATI spectroscopy of cis and trans 3-chloro-N-methylaniline 期刊论文
JOURNAL OF MOLECULAR SPECTROSCOPY, 2017, 卷号: 336, 页码: 12-21
Authors:  Liu, Sheng;  Zhang, Lijuan;  Dai, Wenshuai;  Cheng, Min;  Du, Yikui;  Zhu, Qihe
Favorite  |  View/Download:17/0  |  Submit date:2017/10/29
3-chloro-n-methylaniline  Rempi  Mati  Conformation Effect  
GPCR A2AAR Agonist Binding and Induced Conformation Changes of Functional Switches 期刊论文
Chinese Journal of Chemical Physics, 2014, 卷号: 27, 期号: 1, 页码: 29
Authors:  Pang XQ(庞雪芹);  Liu JY(刘建勇)
Adobe PDF(684Kb)  |  Favorite  |  View/Download:59/43  |  Submit date:2015/11/16
REMPI spectroscopy and theoretical calculations of cis and trans 3-fluoro-N-methylaniline 期刊论文
JOURNAL OF MOLECULAR SPECTROSCOPY, 2014, 卷号: 296, 页码: 28-35
Authors:  Zhang, Lijuan;  Liu, Sheng;  Dong, Changwu;  Cheng, Min;  Du, Yikui;  Zhu, Qihe;  Zhang, Cunhao
Favorite  |  View/Download:15/0  |  Submit date:2015/11/17
3-fluoro-n-methylaniline  Rotamer  R2pi  Pie  Quantum Chemical Calculations  Conformation Effect  
GPCR A(2A)AR Agonist Binding and Induced Conformation Changes of Functional Switches 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2014, 卷号: 27, 期号: 1, 页码: 29-38
Authors:  Pang, Xue-qin;  Liu, Jian-yong
Favorite  |  View/Download:21/0  |  Submit date:2015/11/17
a(2a) Adenosine Receptor  Molecular Dynamics  Adenosine  Specific Binding  Conformational Dynamics  Ionic Lock  Rotamer Toggle Switch  Secondary Structure  
Resonance enhanced multiphoton ionization spectroscopy and theoretical calculations of cis- and trans-m-aminostyrene rotamers 期刊论文
JOURNAL OF MOLECULAR STRUCTURE, 2014, 卷号: 1058, 页码: 205-212
Authors:  Dong, Changwu;  Zhang, Lijuan;  Liu, Sheng;  Hu, Lili;  Cheng, Min;  Du, Yikui;  Zhu, Qihe;  Zhang, Cunha
Favorite  |  View/Download:34/0  |  Submit date:2015/11/17
M-aminostyrene  Rotamer  Resonant Two-photon Ionization  Platt Rule  Ab Initio  Dft  
基于可极化力场以及pso优化的蛋白质设计方法 专利
专利类型: 发明, 专利号: CN201210563431.X, 申请日期: 2014-01-01, 公开日期: 2014-06-25
Inventors:  李国辉;  张鼎林
Favorite  |  View/Download:66/0  |  Submit date:2014/09/25
REMPI and MATI spectroscopic study of selected cis and trans 3-chlorostyrene rotamers 期刊论文
JOURNAL OF MOLECULAR SPECTROSCOPY, 2014, 卷号: 295, 页码: 62-62
Authors:  Dong, Changwu;  Zhang, Lijuan;  Liu, Sheng;  Hu, Lili;  Cheng, Min;  Du, Yikui;  Zhu, Qihe;  Zhang, Cunhao
Favorite  |  View/Download:18/0  |  Submit date:2015/11/09
3-chlorostyrene  Rotamer  Rempi  Mati  Ab Initio  Isotopomers  Dft  
Antagonist binding and induced conformational dynamics of GPCR A(2A) adenosine receptor 期刊论文
PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 2013, 卷号: 81, 期号: 8, 页码: 1399-1410
Authors:  Pang, Xueqin;  Yang, Mingjun;  Han, Keli
Favorite  |  View/Download:17/0  |  Submit date:2015/11/09
a(2a)Ar  Molecular Dynamics  Zm241385  Kw6002  Ligand Specific Binding  Ionic Lock  Rotamer Toggle Switch  Secondary Structure  
Nonheme Iron Oxidant Formed in the Presence of H2O2 and Acetic Acid Is the Cyclic Ferric Peracetate Complex, Not a Perferryloxo Complex 期刊论文
ACS CATALYSIS, 2013, 卷号: 3, 期号: 6, 页码: 1334-1341
Authors:  Wang, Yong;  Janardanan, Deepa;  Usharani, Dandamudi;  Han, Keli;  Que, Lawrence, Jr.;  Shaik, Sason;  Wang Y(王永);  Lawrence Que;  Jr.;  Sason Shaik
Adobe PDF(2622Kb)  |  Favorite  |  View/Download:123/36  |  Submit date:2014/09/11
Nonheme Iron  C-h Activation  Density Functional Calculations  Oxometal  O-o Homolysis  
Rotamers and isotopomers of 3-chloro-5-fluoroanisole studied by resonant two-photon ionization spectroscopy and theoretical calculations 期刊论文
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2013, 卷号: 104, 页码: 235-242
Authors:  Zhang, Lijuan;  Yu, Dan;  Dong, Changwu;  Cheng, Min;  Hu, Lili;  Zhou, Zhimin;  Du, Yikui;  Zhu, Qihe;  Zhang, Cunhao
Favorite  |  View/Download:36/0  |  Submit date:2015/11/09
3-chloro-5-fluoroanisole  R2pi  Ab Initio  Dft  Conformation Effect  Isotope Effect