Solvent Effects on the Thermodynamics and Kinetics of the Proton Transfer between Hydronium Ion and Ammonia. A Theoretical Study Using the Continuum and the Discrete Models

1995 ◽  
Vol 99 (33) ◽  
pp. 12525-12528 ◽  
Author(s):  
Francisco R. Tortonda ◽  
Juan-Luis Pascual-Ahuir ◽  
Estanislao Silla ◽  
Inaki Tunon
Keyword(s):  
Proton Transfer ◽  
Solvent Effects ◽  
Theoretical Study ◽  
Discrete Models ◽  
Thermodynamics And Kinetics ◽  
Hydronium Ion ◽  
Kinetics Of ◽  
The Continuum

Proton transfer between water molecules: a theoretical study of solvent effects using the continuum and the discrete-continuum models

1993 ◽  
Vol 97 (42) ◽  
pp. 11087-11091 ◽  
Author(s):  
Francisco R. Tortonda ◽  
Juan Luis Pascual-Ahuir ◽  
Estanislao Silla ◽  
Inaki Tunon
Keyword(s):  
Proton Transfer ◽  
Solvent Effects ◽  
Theoretical Study ◽  
Continuum Models ◽  
Water Molecules ◽  
The Continuum

A theoretical study of the solvent effects in ethylene oxide: Hydrofluoric acid complex using continuum and new discrete models

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Vol 802 (1-3) ◽  
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Author(s):  
B.G. Oliveira ◽  
R.C.M.U. Araújo ◽  
A.B. Carvalho ◽  
M.N. Ramos ◽  
M.Z. Hernandes ◽  
...  
Keyword(s):  
Ethylene Oxide ◽  
Solvent Effects ◽  
Hydrofluoric Acid ◽  
Theoretical Study ◽  
Discrete Models ◽  
Acid Complex

Theoretical Study of the Thermodynamics and Kinetics of Hydrogen Abstractions from Hydrocarbons

2007 ◽  
Vol 111 (46) ◽  
pp. 11771-11786 ◽  
Author(s):  
Aäron G. Vandeputte ◽  
Maarten K. Sabbe ◽  
Marie-Françoise Reyniers ◽  
Veronique Van Speybroeck ◽  
Michel Waroquier ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Thermodynamics And Kinetics ◽  
Kinetics Of

Experimental and theoretical study on dissociation thermodynamics and kinetics of hydrogen-propane hydrate

2021 ◽  
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Author(s):  
Pengfei Wang ◽  
Kehan Li ◽  
Jianyu Yang ◽  
Jinlong Zhu ◽  
Yusheng Zhao ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Thermodynamics And Kinetics ◽  
Kinetics Of
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