Solvation
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Please use this identifier to cite or link to this collection:doi:10.19061/iochem-bd-6-312
This dataset derived results are published in:
Manuscript title: Solvation effects in the electrochemical reduction of hydrogen cyanide for ambient ammonia production on a Ni cathode
Journal: Catal. Sci. Technol.
DOI: 10.1039/D3CY01333B
View as
- ROOT
- Explicit_Solvation_Phase
- CH2N
- CH2NH
- CH2NH2
- CH3
- CH3+NH3
- CH3NH2
- CH3NH3
- CH4
- CH4+NH3
- CHNH
- HCN
- TS_calculations
- CHNH_CH2N
- HCN_CH2N
- HCN_CHNH
- Water_Layer
- H_down
- Protonated
- H_up
- Protonated
- H_down
- Implicit_Solvation_Phase
- CH2NH
- CH2NH2
- CH3
- CH3+NH3
- CH3NH2
- CH3NH3
- CH4
- CH4+NH3
- CHNH
- HCN
- Vacuum_Phase
- CH2NH
- CH2NH2
- CH3
- CH3+NH3
- CH3NH2
- CH3NH3
- CH4
- CH4+NH3
- CHNH
- HCN
- Explicit_Solvation_Phase