As from the title, I want to do NEB-TS for chemical reactions in the liquid phase, and use the information to calculate reaction rates/kinetic rates.

1. I know that the NEB-TS is possible in the liquid phase using CPCM, for example. I'm not so clear on, heterogeneous catalysis, for surface reactions. Logically, heterogenous catalysis means I have components reacting, which adsorbs to the surface, and desorbs to form a product. But does this mean I have to physically model the surface in the quantum software?
2. Additionally, almost all microkinetic modelling I see mentions typically gas phase or solution phase, yet none of them mention the presence of a catalyst in the solution phase for the chemical reaction modelling. Is this actually possible in computational terms? I feel quite confused and hanged up on this.

Thanks for the help!

As from the title, I want to do NEB-TS for chemical reactions in the liquid phase, and use the information to calculate reaction rates/kinetic rates.

I know that the NEB-TS is possible in the liquid phase using CPCM, for example. I'm not so clear on heterogeneous catalysis, for surface reactions. Logically, heterogeneous catalysis means I have components reacting, which adsorbs to the surface, and desorbs to form a product. Almost all microkinetic modelling I see mentions typically gas phase or solution phase, yet none of them mention the presence of a catalyst in the solution phase for the chemical reaction modelling. Do I have to physically model the surface in the quantum software?