| TMC | N-tetramethylated cyclam I |
| NODs | Nitric oxide dioxygenases |
| PES | Potential Energy Surface |
| IRC | Intrinsic reaction coordinate |
| SMD | Solvation model based on the quantum mechanical charge density |
| NBO | Natural Bond Orbital |
| TMC | N-tetramethylated cyclam I |
| NODs | Nitric oxide dioxygenases |
| PES | Potential Energy Surface |
| IRC | Intrinsic reaction coordinate |
| SMD | Solvation model based on the quantum mechanical charge density |
| NBO | Natural Bond Orbital |