scholarly journals Spontaneity of heterogeneous (solid/gas) chemical reactions: theoretical study of dimensionality changes induced by ammonia in zinc phosphates

2016 ◽  
Vol 72 (a1) ◽  
pp. s395-s395
Author(s):  
Francisco J. Rey-Garcia ◽  
Santiago García-Granda
Keyword(s):  
Chemical Reactions ◽  
Theoretical Study ◽  
Zinc Phosphates ◽  
Heterogeneous Solid

Theoretical study on solvation effects in chemical reactions: A vibrational coupling model

1992 ◽  
Vol 43 (4) ◽  
pp. 449-461 ◽  
Author(s):  
Hiroto Tachikawa ◽  
Sten Lunell ◽  
Christer Törnkvist ◽  
Anders Lund
Keyword(s):  
Chemical Reactions ◽  
Theoretical Study ◽  
Coupling Model ◽  
Vibrational Coupling ◽  
Solvation Effects

Parity-violating effects in asymmetric chemical reactions:  A theoretical study on the CHFClBr molecule

2000 ◽  
Vol 62 (6) ◽  
pp. 8395-8399 ◽  
Author(s):  
Alessandro Soncini ◽  
Andrea Ligabue ◽  
Paolo Lazzeretti ◽  
Riccardo Zanasi
Keyword(s):  
Chemical Reactions ◽  
Theoretical Study

The application of wave-mechanics to reactions involving hydrogen and diplogen

1934 ◽  
Vol 30 (4) ◽  
pp. 508-513
Author(s):  
R. A. Smith
Keyword(s):  
Activation Energy ◽  
Quantum Theory ◽  
Chemical Reactions ◽  
Reaction Mechanisms ◽  
Reaction Rate ◽  
Theoretical Study ◽  
Electronic States ◽  
Activation Energies ◽  
Wave Mechanics

A considerable amount of work has recently been done on the application of wave-mechanics to the theoretical study of chemical reactions. This has consisted chiefly in calculating activation energies and strengths of various bonds by consideration of electronic states in molecules. Some work has also been done on actual reaction mechanisms. It is evident from the latter that, owing to the large masses of the particles concerned, the quantum theory and the classical treatment will give different results only for reactions involving hydrogen or diplogen. Previous attempts to deal with such reactions have consisted simply of calculating the permeabilityG(W) of a barrier of height equal to the activation energy for protons of energyW.The reaction rate is then assumed to be given by

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