Useful papers: Difference between revisions
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'''- Paper solvation.''' ''Theory'' | '''- Paper solvation.''' ''Theory'' | ||
There is a great discussion in this paper about the entropic effects and reference state when solvent molecules are | There is a great discussion in this paper about the entropic effects and reference state when solvent molecules are explicitly considered. ''Cluster-continuum model''. | ||
[http://aliga.iciq.es/wiki/images/2/28/Solvation_energy_theory.pdf *link*] | [http://aliga.iciq.es/wiki/images/2/28/Solvation_energy_theory.pdf *link*] | ||
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'''- Microkinetic Modeling Review.''' ''Theory + Application'' | '''- Microkinetic Modeling Review.''' ''Theory + Application'' | ||
This is a nice and complete review in Microkinetic Modeling. It contains from basic theory to examples of Microkinetic Modeling usage. | |||
[http://aliga.iciq.es/wiki/images/d/d9/Maseras_Besora_Review.pdf *link*] | [http://aliga.iciq.es/wiki/images/d/d9/Maseras_Besora_Review.pdf *link*] | ||
Revision as of 13:48, 3 August 2018
- 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.
- Microkinetic Modeling Review. Theory + Application
This is a nice and complete review in Microkinetic Modeling. It contains from basic theory to examples of Microkinetic Modeling usage.