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Transition-metal-free dehydrogenation coupling of pyridinium through a self-promoted hydride transfer process 期刊论文
ORGANIC CHEMISTRY FRONTIERS, 2017, 卷号: 4, 期号: 9, 页码: 1789-1793
作者:  Shang, Wenbin;  Li, Shanyong;  Ding, Yuzhen;  Pan, Zhiqiang;  Tong, Xiaogang;  Xia, Chengfeng
浏览  |  Adobe PDF(634Kb)  |  收藏  |  浏览/下载：298/64  |  提交时间：2017/10/23
C-h Functionalization  Hydrogen Evolution Reaction  Nickel/lewis Acid Catalysis  Visible-light Catalysis  Quinoline N-oxides  Direct Arylation  Bond Activation  Selective Alkenylation  Grignard-reagents  Dft Calculations  
Three New Ergot Alkaloids from the Fruiting Bodies of Xylaria nigripes (Kl.) Sacc. 期刊论文
CHEMISTRY & BIODIVERSITY, 2017, 卷号: 14, 期号: 1, 页码: e1600173
作者:  Hu, Dongbao;  Li, Ming
浏览  |  Adobe PDF(815Kb)  |  收藏  |  浏览/下载：217/68  |  提交时间：2017/04/19
Xylaria Nigripes  Ergot Alkaloids  Dft  Cetp Inhibitory Activity  
两种真菌和豨莶草化学成分及天然产物绝对构型的确定 学位论文
, 昆明: 中国科学院大学, 2015
作者:  胡栋宝
Adobe PDF(15636Kb)  |  收藏  |  浏览/下载：265/18  |  提交时间：2017/06/09
天然产物  绝对构型  Dft  旋光or  Tddft  电子圆二色谱ecd  振动圆二色谱vcd  高等真菌  豨莶草  化学成分  
Highly unsaturated pyranone derivatives from the basidiomycete Junghuhnianitida 期刊论文
TETRAHEDRON LETTERS, 2014, 卷号: 55, 期号: 48, 页码: 6530-6533
作者:  Hu, Dong-Bao;  Li, Wen-Xin;  Zhao, Zhen-Zhu;  Feng, Tao;  Yin, Rong-Hua;  Li, Zheng-Hui;  Liu, Ji-Kai;  Zhu, Hua-Jie;  Liu,JK (reprint author),Chinese Acad Sci,Kunming Inst Bot,State Key Lab Phytochem & Plant Resources West Ch,Kunming 650201,Peoples R China.;  hjzhu@mail.kib.ac.cn
浏览  |  Adobe PDF(611Kb)  |  收藏  |  浏览/下载：426/112  |  提交时间：2015/01/20
Antitumour Agents  Junghuhnianitida Derivatives  Absolute Configuration Determination  Dft  Matrix  
Discussion of absolute configuration for bioactive Griseusins by comparing computed optical rotations and electronic circular dichroism with the experimental results 期刊论文
TETRAHEDRON, 2014, 卷号: 70, 期号: 44, 页码: 8236-8243
作者:  Zhu, Hua-Jie;  Li, Wen-Xin;  Hu, Dong-Bao;  Wen, Meng-Liang;  Zhu,HJ (reprint author),Chinese Ctr Chiral,Minist Educ,Key Lab Med Chem & Mol Diagnost,Key Disciplines Biotechnol Engn Hebei Prov,Baoding 071002,Peoples R China.;  hjzhu@mail.kib.ac.cn
浏览  |  Adobe PDF(2461Kb)  |  收藏  |  浏览/下载：265/72  |  提交时间：2015/01/20
Dft  Optical Rotation  Electron Circular Dichroism  Absolute Configuration  Griseusins  
Determining the absolute configuration of benzopyrenomycin by optical rotation, electronic circular dichroism, and population analysis of different conformations via DFT methods and experiments 期刊论文
TETRAHEDRON, 2013, 卷号: 69, 期号: 14, 页码: 3067-3074
作者:  Li, Qing-Ming;  Ren, Jie;  Zhou, Bei-Dou;  Bai, Bing;  Liu, Xin-Chun;  Wen, Meng-Liang;  Zhu, Hua-Jie
浏览  |  Adobe PDF(969Kb)  |  收藏  |  浏览/下载：445/105  |  提交时间：2013/06/08
Absolute Configuration Assignment  Dft Computation  Optical Rotation  Electronic Circular Dichroism  Conformational Analysis  
Theoretical and experimental study of the absolute configuration of helical structure of (2R,3S)-Rubiginone A(2) analog 期刊论文
TETRAHEDRON, 2013, 卷号: 69, 期号: 3, 页码: 1189-1194
作者:  Zhou, Bei-Dou;  Ren, Jie;  Liu, Xin-Chun;  Zhu, Hua-Jie
浏览  |  Adobe PDF(710Kb)  |  收藏  |  浏览/下载：589/271  |  提交时间：2013/07/24
Absolute Configuration  (2r  Dft  3s)-rubiginone a(2) Analogue Synthesis  Optical Rotation  Electronic Circular Dichroism  
Progression of Absolute Configuration Determination in Natural Product Chemistry Using Optical Rotation (Dispersion), Matrix Determinant and Electronic Circular Dichroism Methods 期刊论文
CURRENT ORGANIC CHEMISTRY, 2011, 卷号: 15, 期号: 11, 页码: 1843-1862
作者:  Zhao, Sheng-Ding;  Shen, Lan;  Luo, Du-Qiang;  Zhu, Hua-Jie
浏览  |  Adobe PDF(728Kb)  |  收藏  |  浏览/下载：534/160  |  提交时间：2012/07/25
Dft  Ecd  Or  Absolute Configuration Determination  
DFT explorations of tautomerism of 2-mercaptoimidazole in aqueous solution 期刊论文
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2005, 卷号: 730, 期号: 1-3, 页码: 199-205
Zhu, HJ; Ren, Y; Ren, J; Chu, SY
浏览  |  Adobe PDF(313Kb)  |  收藏  |  浏览/下载：416/176  |  提交时间：2012/10/12
Dft  2-mercaptoimidazole  Tautomerism  Water-assisted Proton Transfer  Intramolecular Proton-transfer  Direct-dynamics  Solvent  Glycine  Solvation  Spectra  Models  Equilibrium  Continuum  Cytosine  
Gas-phase non-identity S(N)2 reactions at neutral nitrogen: a hybrid DFT study 期刊论文
INTERNATIONAL JOURNAL OF MASS SPECTROMETRY, 2003, 卷号: 229, 期号: 3, 页码: 199-208
Yang, J; Ren, Y; Zhu, HJ; Chu, SY
浏览  |  Adobe PDF(273Kb)  |  收藏  |  浏览/下载：348/126  |  提交时间：2012/10/12
s(n)2 At Neutral Nitrogen  Hybrid Dft Method  Reaction Mechanism  Nucleophilicity  Transition-state Geometries  Nucleophilic-substitution  Methyl Halides  Sn2 Reactions  Anions  Displacement  Barriers