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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：550/134  |  提交时间：2011/11/24
Apo-tirucallol Derivatives  B3lyp  Mp2  Configurational Isomer Distribution  
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：377/168  |  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  
A theoretical study of the ion pair S(N)2 reaction between lithium isocyanates with methyl fluoride with inversion and retention mechanism 期刊论文
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2004, 卷号: 686, 期号: 1-3, 页码: 65-70
作者:  Zhu, HJ;  Ren, Y;  Ren, J
浏览  |  Adobe PDF(216Kb)  |  收藏  |  浏览/下载：284/92  |  提交时间：2012/10/12
Cyanate And isoCyanate  Ion Pair s(n)2 reactIon  Ab Initio  Inversion And Retention Mechanism  
A theoretical study of the gas-phase ion pair S(N)2 reactions of lithium halide and methyl halide with inversion and retention mechanisms 期刊论文
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2003, 卷号: 664, 页码: 279-289
作者:  Xiong, Y;  Zhu, HJ;  Ren, Y
浏览  |  Adobe PDF(205Kb)  |  收藏  |  浏览/下载：331/117  |  提交时间：2012/10/12
Ion Pair  s(n)2 Reaction  Identity And non-Identity  Inversion And Retention  
Formation and E/Z isomerization of macrocyclic β-methoxyenones 期刊论文
Journal of Molecular Structure (Theochem), 1996, 卷号: 366, 页码: 195-201
作者:  Marc Sultan;  Marcel H. Schulz;  Hugues Richard;  Alon Magen;  Andreas Klingenhoff;  Matthias Scherf;  Martin Seifert;  Tatjana Borodina;  Aleksey Soldatov;  Dmitri Parkhomchuk;  Dominic Schmidt;  Sean O’Keeffe;  Stefan Haas;  Martin Vingron;  Hans Lehrach;  Marie-Laure Yaspo
Adobe PDF(706Kb)  |  收藏  |  浏览/下载：102/0  |  提交时间：2017/07/19