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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
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Ab Initio  Inversion Mechanism  Isothiocyanate  Reaction Pathway  s(n)2  Thiocyanate  Transition-state Structure  Nucleophilic-substitution Reactions  Retention Mechanisms  Configuration  
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
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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
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Ion Pair  s(n)2 Reaction  Identity And non-Identity  Inversion And Retention  
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
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s(n)2 At Neutral Nitrogen  Hybrid Dft Method  Reaction Mechanism  Nucleophilicity  Transition-state Geometries  Nucleophilic-substitution  Methyl Halides  Sn2 Reactions  Anions  Displacement  Barriers