中文版 | English

在结果中检索

KIB OpenIR

浏览/检索结果: 共10条，第1-10条 帮助

限定条件    
已选(0)清除 条数/页：   排序方式：
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
Adobe PDF(2461Kb)  |  收藏  |  浏览/下载：189/57  |  提交时间：2015/01/20
Dft  Optical Rotation  Electron Circular Dichroism  Absolute Configuration  Griseusins  
Assignment of aromaticity of the classic heterobenzenes by three aromatic criteria 期刊论文
COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2014, 卷号: 1046, 页码: 20-24
作者:  Hou, Bo;  Yi, Pinggui;  Wang, Zhaoxu;  Zhang, Shuqun;  Zhao, Jinhua;  Mancera, Ricardo L.;  Cheng, Yongxian;  Zuo, Zhili;  Yi,PG (reprint author),Hunan Univ Sci & Technol,Minist Educ,Key Lab Theoret Chem & Mol Simulat,Xiangtan 411201,Peoples R China.;  zuozhili@mail.kib.ac.cn
Adobe PDF(847Kb)  |  收藏  |  浏览/下载：342/55  |  提交时间：2014/11/25
Nics  Elf  Heterobenzenes  Global Aromaticity  Pi Aromaticity  Sigma Aromaticity  
The Mechanism of Poly-Galloyl-Glucoses Preventing Influenza A Virus Entry into Host Cells 期刊论文
PLOS ONE, 2014, 卷号: 9, 期号: 4, 页码: e94392
作者:  Ge, Hu;  Liu, Ge;  Xiang, Yang-Fei;  Wang, Yu;  Guo, Chao-Wan;  Chen, Nan-Hao;  Zhang, Ying-Jun;  Wang, Yi-Fei;  Kitazato, Kaio;  Xu, Jun
Adobe PDF(4149Kb)  |  收藏  |  浏览/下载：297/54  |  提交时间：2014/06/23
Receptor-binding Properties  Molecular-dynamics  Human Infection  Hemagglutinin  Transmission  Fusion  Origin  Amber  
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
Adobe PDF(728Kb)  |  收藏  |  浏览/下载：406/134  |  提交时间：2012/07/25
Dft  Ecd  Or  Absolute Configuration Determination  
Assignment of the Absolute Configuration of Concentricolide - Absolute Configuration Determination of Its Bioactive Analogs Using DFT Methods 期刊论文
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY, 2009, 期号: 23, 页码: 3987-3991
作者:  Ren, Jie;  Jiang, Ju-Xing;  Li, Liang-Bo;  Liao, Tou-Geng;  Tian, Ren-Rong;  Chen, Xu-lin;  Jiang, Si-Ping;  Pittman, Charles U., Jr.;  Zhu, Hua-Jie
Adobe PDF(304Kb)  |  收藏  |  浏览/下载：293/86  |  提交时间：2012/04/05
Configuration Determination  Biological Activity  Density Functional Calculations  Chirality  Circular Dichroism  
Daphniphyllum and diterpenoid alkaloids from Daphniphyllum longeracemosum 期刊论文
JOURNAL OF NATURAL PRODUCTS, 2008, 卷号: 71, 期号: 7, 页码: 1202-1206
作者:  Li, Chun-Shun;  Di, Ying-Tong;  Mu, Shu-Zhen;  He, Hong-Ping;  Zhang, Qiang;  Fang, Xin;  Zhang, Yu;  Li, Shun-Lin;  Lu, Yang;  Gong, Yan-Qing;  Hao, Xiao-Jiang
Adobe PDF(483Kb)  |  收藏  |  浏览/下载：234/77  |  提交时间：2011/11/24
Yuzurimine-type Alkaloids  Unprecedented Skeletons  A-c  Aconitum  Calycillum  Yunnanense  Paxianum  Cascade  Rosenth  Oldhami  
Study of syntheses and specific rotations of (S)-3-phenylhexan-3-ol and its derivatives 期刊论文
TETRAHEDRON-ASYMMETRY, 2008, 卷号: 19, 期号: 7, 页码: 808-815
作者:  Liao, Tou-Gen;  Ren, Jie;  Fan, Hua-Fang;  Xie, Ming-Jin;  Zhu, Hua-Jie
Adobe PDF(271Kb)  |  收藏  |  浏览/下载：301/138  |  提交时间：2011/11/24
Density-functional Theory  Ab-initio Calculation  Electronic Circular-dichroism  Coupled-cluster Calculations  Molecular Optical Rotations  Absolute-configuration  Chiral Molecules  Hartree-fock  Esters  Stereochemistry  
Theoretical investigation of ion pair S(N)2 reactions of alkali isothiocyanates with alkyl halides. Part 1. Reaction of lithium isothiocyanate and methyl fluoride with inversion mechanism 期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2005, 卷号: 101, 期号: 1, 页码: 104-112
Zhu, HJ; Ren, Y; Ren, J; Chu, SY
Adobe PDF(195Kb)  |  收藏  |  浏览/下载：481/157  |  提交时间：2012/10/12
Ab Initio  Inversion Mechanism  Isothiocyanate  Reaction Pathway  s(n)2  Thiocyanate  Transition-state Structure  Nucleophilic-substitution Reactions  Retention Mechanisms  Configuration  
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
Adobe PDF(273Kb)  |  收藏  |  浏览/下载：279/115  |  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  
Chiral ligands derived from abrine. Part 6: Importance of a bulky N-alkyl group in indole-containing chiral beta-tertiary amino alcohols for controlling enantioselectivity in addition of diethylzinc toward aldehydes 期刊论文
TETRAHEDRON-ASYMMETRY, 2000, 卷号: 11, 期号: 11, 页码: 2315-2337
作者:  Dai, WM;  Zhu, HJ;  Hao, XJ
Adobe PDF(460Kb)  |  收藏  |  浏览/下载：261/105  |  提交时间：2012/03/21
Asymmetric Autocatalytic Reaction  Aromatic-aldehydes  Dialkylzinc Reagents  Organozinc Reagents  Enantiomeric Excess  Organometallic Reagents  Ephedrine Derivatives  Aliphatic-aldehydes  Aryl Aldehydes  Catalysts