Experimental and Theoretical Study of Chemical Equilibria in the Reactive Systems of Acetals Synthesis

2012 ◽  
Vol 51 (39) ◽  
pp. 12723-12729 ◽  
Author(s):  
Viviana M. T. M. Silva ◽  
Carla S. M. Pereira ◽  
Alírio E. Rodrigues ◽  
Sergey P. Verevkin ◽  
Vladimir N. Emel’yanenko ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Reactive Systems ◽  
Chemical Equilibria

Theoretical study on the scattering resonance state and isotope effect of the F + HD(H2) → HF + D(H) reactive system

2009 ◽  
Vol 87 (5) ◽  
pp. 684-687 ◽  
Author(s):  
Hong Yue ◽  
Xi Lu ◽  
Zhengting Cai ◽  
Xiaomin Sun
Keyword(s):  
Potential Energy ◽  
Isotope Effect ◽  
Feshbach Resonance ◽  
Energy Surface ◽  
Theoretical Study ◽  
Reactive Systems ◽  
Resonance Energy ◽  
Resonance State ◽  
Reactive System ◽  
Ab Initio Method

The scattering resonance state of the F + H2reactive system has been the focus of the reactive resonance or Feshbach resonance, since the reaction can generate infrared laser. The partial potential-energy surface is constructed with the ab initio method, and the formation mechanism of the scattering resonance is studied. The resonance energy is given, and the first resonance life is estimated. The F + H2and F + HD reactive systems are investigated simultaneously to study the isotope effect, and some valuable results are achieved.

Experimental and Theoretical Study of Chemical Equilibria in the Reacting System of the di-Alkyl Carbonate Synthesis.

2011 ◽  
Vol 50 (16) ◽  
pp. 9774-9780 ◽  
Author(s):  
Sergey P. Verevkin ◽  
Vladimir N. Emel’yanenko ◽  
Svetlana A. Kozlova ◽  
Irina Smirnova ◽  
Wolfgang Arlt
Keyword(s):  
Theoretical Study ◽  
Chemical Equilibria

Thermochemistry of Ionic Liquid Catalyzed Reactions. Experimental and Theoretical Study of Chemical Equilibria of Izomerization and Transalkylation oftert-Amylbenzenes

2009 ◽  
Vol 113 (38) ◽  
pp. 12704-12710 ◽  
Author(s):  
Sergey P. Verevkin ◽  
Vladimir N. Emel’yanenko ◽  
Alexey V. Toktonov ◽  
Peter Goodrich ◽  
Christopher Hardacre
Keyword(s):  
Ionic Liquid ◽  
Theoretical Study ◽  
Chemical Equilibria ◽  
Catalyzed Reactions

Thermochemistry of Ionic Liquid-Catalyzed Reactions. Experimental and Theoretical Study of Chemical Equilibria of Isomerization and Transalkylation oftert-Butylbenzenes

2008 ◽  
Vol 112 (44) ◽  
pp. 11273-11282 ◽  
Author(s):  
Sergey P. Verevkin ◽  
Svetlana A. Kozlova ◽  
Vladimir N. Emel’yanenko ◽  
Peter Goodrich ◽  
Christopher Hardacre
Keyword(s):  
Ionic Liquid ◽  
Theoretical Study ◽  
Chemical Equilibria ◽  
Catalyzed Reactions
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