Useful papers
- Paper solvation. Theory
There is a great discussion in this paper about the entropic effects and reference state when solvent molecules are explicitly considered. Cluster-continuum model.
- Paper solvation. Application
Cluster-continuum model. This is a supporting information from a paper (mine and really good). Go to page S35 for the computational part.
- Grid-errors using Minnesota functionals. Theory
- Steric properties in organometallic chemistry. Experimental aspects useful to theoretical studies
- Theory-aided rational design of Palladium complexes Theory + experimental