Useful papers: Difference between revisions
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- Paper solvation. There is a great discussion in this paper about the entropic effects and reference state when solvent molecules are explicitally considered . Cluster-continuum model. Theory. | '''- Paper solvation.''' There is a great discussion in this paper about the entropic effects and reference state when solvent molecules are explicitally considered . Cluster-continuum model. '''Theory'''. | ||
[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*] | ||
- Paper solvation. There is a great discussion in this paper about the entropic effects and reference state when solvent molecules are explicitally considered . Cluster-continuum model. Application. This is a supporting information for a paper (mine and really good). Go to page S35 for the computational part. | '''- Paper solvation.''' There is a great discussion in this paper about the entropic effects and reference state when solvent molecules are explicitally considered . Cluster-continuum model. '''Application'''. This is a supporting information for a paper (mine and really good). Go to page S35 for the computational part. | ||
[http://aliga.iciq.es/wiki/images/4/46/Chem201802586-sup-0001-misc_information.pdf *link*] | |||
- Microkinetic Modeling Review [[https://onlinelibrary.wiley.com/doi/abs/10.1002/wcms.1372]] | - Microkinetic Modeling Review [[https://onlinelibrary.wiley.com/doi/abs/10.1002/wcms.1372]] | ||
Revision as of 12:12, 3 August 2018
- Paper solvation. There is a great discussion in this paper about the entropic effects and reference state when solvent molecules are explicitally considered . Cluster-continuum model. Theory. *link*
- Paper solvation. There is a great discussion in this paper about the entropic effects and reference state when solvent molecules are explicitally considered . Cluster-continuum model. Application. This is a supporting information for a paper (mine and really good). Go to page S35 for the computational part. *link*
- Microkinetic Modeling Review [[1]]