Useful papers: Difference between revisions
Mfianchini (talk | contribs) No edit summary |
Mfianchini (talk | contribs) No edit summary |
||
| Line 10: | Line 10: | ||
[http://aliga.iciq.es/wiki/images/4/46/Chem201802586-sup-0001-misc_information.pdf *link*] | [http://aliga.iciq.es/wiki/images/4/46/Chem201802586-sup-0001-misc_information.pdf *link*] | ||
'''- SMD original paper ''' ''Theory + Application'' | |||
[http://aliga.iciq.es/wiki/images/3/33/Marenich2009.pdf *link*] | |||
'''- Grid-errors using Minnesota functionals.''' ''Theory'' | '''- Grid-errors using Minnesota functionals.''' ''Theory'' | ||
Revision as of 11:11, 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.
- SMD original paper Theory + Application
- 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
- Theory-aided rational design of Metallocenes Theory + experimental
- Computational electrochemistry Theory + experimental
- Relativistic effects of gold Interesting review with several links to theory and experiments