We changed our privacy policy. Read more.

Questions tagged [implicit-solvent]

For questions about using implicit solvent models (e.g. Polarizable Continuum Method, Generalized Born, Conductor-like Screening Model)

1 question with no upvoted or accepted answers
Filter by
Sorted by
Tagged with
6
votes
0answers
65 views

Two-stage unbinding & binding energies with DFT

I'm trying to calculate the stability of the product of a coordinate bonding process of molecules A and B in the polarizable continuum solvent model (PCM, solvent set to water). I'm getting energies ...