| TpPh2 | hydrotris (3,5-diphenylpyrazole-1-yl) borate |
| DFT | Density Functional Theory |
| PES | Potential Energy Surface |
| PCM | Polarizable Continuum Model |
| HOMO | High Occupied Molecular Orbital |
| TpPh2 | hydrotris (3,5-diphenylpyrazole-1-yl) borate |
| DFT | Density Functional Theory |
| PES | Potential Energy Surface |
| PCM | Polarizable Continuum Model |
| HOMO | High Occupied Molecular Orbital |