Quantum-classical reaction path/surface model for chemical reactions. III. The reaction H2+OH→H2O+H

1990 ◽  
Vol 146 (1-2) ◽  
pp. 63-77 ◽  
Author(s):  
Gert Due Billing
1988 ◽  
Vol 110 (10) ◽  
pp. 3063-3068 ◽  
Author(s):  
B. Hartke ◽  
J. Manz

2015 ◽  
Vol 17 (48) ◽  
pp. 32358-32374 ◽  
Author(s):  
Vicent S. Safont ◽  
Patricio González-Navarrete ◽  
Mónica Oliva ◽  
Juan Andrés

Unprecedented insight into the mapping of the electrons making/breaking the bonds in the DBH and DBOH denitrogenation processes.


2016 ◽  
Vol 52 (53) ◽  
pp. 8183-8195 ◽  
Author(s):  
Juan Andrés ◽  
Sławomir Berski ◽  
Bernard Silvi

The displacement of the nuclei along the reaction path provides an explanatory interpretation of the electron density transfers making possible to understand chemical reactions.


2017 ◽  
Vol 114 ◽  
pp. 1319-1324 ◽  
Author(s):  
Y. Deguchi ◽  
R. Muranaka ◽  
T. Kamimoto ◽  
T. Takagi ◽  
S. Kikuchi ◽  
...  

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