The potential energy surface of OH anion reaction with CH3OOH: Theoretical investigations

2016 ◽  
Vol 1089 ◽  
pp. 1-5 ◽  
Author(s):  
Li Yang ◽  
Jiaxu Zhang
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Energy Surface ◽  
Theoretical Investigations

scholarly journals Uncovering an oxide ion substitution for the OH − + CH 3 F reaction

2021 ◽  
Author(s):  
Domonkos Attila Tasi ◽  
Gabor Czako
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Chemical Reactions ◽  
Energy Surface ◽  
Analytical Potential ◽  
Theoretical Investigations ◽  
Ion Substitution ◽  
Oxide Ion

Theoretical investigations on chemical reactions allow us to understand the dynamics of the possible pathways and identify new unexpected routes. Here, we develop a global analytical potential energy surface (PES)...

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