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科研机构
昆明植物研究所 [16]
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期刊论文 [15]
学位论文 [1]
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2014 [1]
2011 [3]
2009 [1]
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Chemistry [6]
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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
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2015/01/20
DFT
Optical rotation
Electron circular dichroism
Absolute configuration
Griseusins
Absolute Configuration Determination for Natural Products (I)
期刊论文
CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE, 2011, 卷号: 32, 期号: 11, 页码: 2568-2573
作者:
Shen Lan
;
Zhao Sheng-Ding
;
Zhu Hua-Jie
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2012/04/10
Natural product
Density functional theory
Optical rotation
(13)C NMR computation
Absolute configuration determination
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
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2012/07/25
DFT
ECD
OR
absolute configuration determination
Multiple hydrogen-bonding interactions between macrocyclic triurea and F(-), Cl(-), Br(-), I(-) and NO(3)(-): a theoretical investigation
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2011, 卷号: 13, 期号: 16, 页码: 7384-7395
Chen, YS
;
Pan, XL
;
Yan, H
;
Tan, NH
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  |  
浏览/下载:17/0
  |  
提交时间:2012/07/25
Selective Anion Complexation
Sulfate-binding Protein
Solvation Free-energy
Ief-pcm Model
Ab-initio
Dissociation-constants
Conformational Control
Successive Residues
Crystal-structures
Monovalent Anions
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
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2012/04/05
Configuration determination
Biological activity
Density functional calculations
Chirality
Circular dichroism
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
收藏
  |  
浏览/下载:14/0
  |  
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
A comprehensive theoretical study on the hydrolysis of carbonyl sulfide in the neutral water
期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2008, 卷号: 29, 期号: 3, 页码: 466-480
作者:
Deng, Chao
;
Li, Qiang-Gen
;
Ren, Yi
;
Wong, Ning-Bew
;
Chu, San-Yan
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2011/12/19
Carbonyl Sulfide
Hydrolysis Mechanism
Natural Population Analysis
Solvent Effects
Temperature Effects
Structure Revision of Hassananes with Use of Quantum Mechanical C-13 NMR Chemical Shifts and UV-Vis Absorption Spectra
期刊论文
J. Phy. Chem. A, 2008, 卷号: 112, 期号: 47, 页码: 12132-12139
Yang, J
;
Huang, SX
;
Zhao, QS
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2011/11/24
Density-functional Theory
Efficient Implementation
Excitation-energies
Natural-products
C-23 Terpenoids
Response Theory
Salvia-apiana
Ab-initio
Skeleton
Stereochemistry
Matrix model to predict specific optical rotations of acyclic chiral molecules
期刊论文
TETRAHEDRON, 2007, 卷号: 63, 期号: 10, 页码: 2292-2314
作者:
Zhu, Hua-Jie
;
Ren, Jie
;
Pittman, Charles U., Jr.
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2011/12/19
Matrix
Determinant
Optical Rotation
B3lyp
Vibralactone: A lipase inhibitor with an unusual fused beta-lactone produced by cultures of the basidiomycete Boreostereum vibrans
期刊论文
ORGANIC LETTERS, 2006, 卷号: 8, 期号: 25, 页码: 5749-5752
作者:
Liu, Dong-Ze
;
Wang, Fei
;
Liao, Tou-Gen
;
Tang, Jian-Guo
;
Steglich, Wolfgang
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2011/11/24
Ab-initio Calculation
Optical-rotation
Microbial Metabolite
Neuroblastoma-cells
Stereum-purpureum
Lactacystin
Tetrahydrolipstatin
Orlistat
Catalyst
Acid
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