Useful papers: Difference between revisions
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[http://aliga.iciq.es/wiki/images/a/ae/Nielsen2014.pdf *link*] | [http://aliga.iciq.es/wiki/images/a/ae/Nielsen2014.pdf *link*] | ||
'''- Theory-aided rational design of Metallocenes ''' ''Theory + experimental'' | |||
[http://aliga.iciq.es/wiki/images/a/ab/Wondimagegn2008.pdf *link*] | |||
Revision as of 10:30, 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
- Theory-aided rational design of Metallocenes Theory + experimental