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Study of solvents effect on distribution of configurational and conformational isomers of apo-tirucallol theoretically and experimentally 期刊论文
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2008, 卷号: 870, 期号: 1-3, 页码: 72-76
作者:  Ren, Jie;  Cai, Xiang-Hai;  Fan, Hua-Fang;  Cao, Jin-Xing;  Liao, Tou-Geng;  Luo, Xiao-Dong;  Zhu, Hua-Jie
Adobe PDF(319Kb)  |  收藏  |  浏览/下载：488/124  |  提交时间：2011/11/24
Apo-tirucallol Derivatives  B3lyp  Mp2  Configurational Isomer Distribution  
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：302/138  |  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  
Complete assignments of H-1 and C-13 NMR spectral data for three polyhydroxylated 12-ursen-type triterpenoids from Dischidia esquirolii 期刊论文
MAGNETIC RESONANCE IN CHEMISTRY, 2008, 卷号: 46, 期号: 6, 页码: 571-575
Ma, MX; Yang, CR; Zhang, YJ
Adobe PDF(120Kb)  |  收藏  |  浏览/下载：406/173  |  提交时间：2011/11/24
Nmr  1d/2d Nmr  Polyhydroxylated Ursolic Acids  Epimer  Dischidia Esquirolii  Asclepiadaceae  Uncaria-tomentosa  Constituents  Glycosides  Plants  
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
Adobe PDF(281Kb)  |  收藏  |  浏览/下载：374/127  |  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