Ab Initio Quantum Chemical Study of the Coordination Preferences and Catalytic Role of Cu+Ions in the Dehydration Reactions of Hydroxyformaldoxime Conformers and the Oxidation of HCN to Hydroxyformaldoxime by Hydrogen Peroxide

2002 ◽  
Vol 106 (7) ◽  
pp. 1425-1440 ◽  
Author(s):  
Dimitrios A. Pantazis ◽  
Athanassios C. Tsipis ◽  
Constantinos A. Tsipis
Keyword(s):  
Hydrogen Peroxide ◽  
Ab Initio ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Dehydration Reactions ◽  
Catalytic Role ◽  
Cu Ions

AB initio quantum chemical study of the reaction mechanism of ethynide ion formation in the C2H2/MOH/DMSO system (M = Li, Na, K)

2009 ◽  
Vol 50 (1) ◽  
pp. 27-33 ◽  
Author(s):  
E. Yu. Larionova ◽  
N. M. Vitkovskaya ◽  
V. B. Kobychev ◽  
N. V. Kaempf ◽  
A. D. Skitnevskaya ◽  
...  
Keyword(s):  
Reaction Mechanism ◽  
Ab Initio ◽  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Ion Formation ◽  
Dmso System
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