Useful papers: Difference between revisions
Jump to navigation
Jump to search
Mfianchini (talk | contribs) No edit summary |
Mfianchini (talk | contribs) No edit summary |
||
| Line 16: | Line 16: | ||
[http://aliga.iciq.es/wiki/images/9/9e/Clavier2010.pdf *link*] | [http://aliga.iciq.es/wiki/images/9/9e/Clavier2010.pdf *link*] | ||
'''- Theory-aided rational design of Palladium complexes ''' ''Theory + experimental'' | |||
[http://aliga.iciq.es/wiki/images/a/ae/Nielsen2014.pdf *link*] | |||
Revision as of 10:03, 24 January 2019
- 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