Biblio

Found 3 results
Author Title [ Year(Asc)]
Filters: Author is Soteras, Ignacio and Keyword is Computer Simulation  [Clear All Filters]
2010
Performance of the IEF-MST solvation continuum model in the SAMPL2 blind test prediction of hydration and tautomerization free energies., Soteras, Ignacio, Orozco Modesto, and F Luque Javier , J Comput Aided Mol Des, 2010 Apr, Volume 24, p.281-91, (2010)
2009
Performance of the IEF-MST solvation continuum model in a blind test prediction of hydration free energies., Soteras, Ignacio, Forti Flavio, Orozco Modesto, and F Luque Javier , J Phys Chem B, 2009 Jul 9, Volume 113, p.9330-4, (2009)
2006
On the origin of the stereoselectivity in the alkylation of oxazolopiperidone enolates., Soteras, Ignacio, Lozano Oscar, Gómez-Esqué Arantxa, Escolano Carmen, Orozco Modesto, Amat Mercedes, Bosch Joan, and F Luque Javier , J Am Chem Soc, 2006 May 24, Volume 128, p.6581-8, (2006)