Lista de

Facelli, Julio César
48
2009
4
"Transition from exo to endo Cu absorption in SinCu clusters: A genetic algorithms Density Functional Theory (DFT) study" (2009) Oña, O.B.; Ferraro, M.B.; Facelli, J.C. Nanotechnology 2009: Biofuels, Renewable Energy, Coatings, Fluidics and Compact Modeling - 2009 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech 2009. 3:324-327
"Significant progress in predicting the crystal structures of small organic molecules - A report on the fourth blind test" (2009) Day, G.M.;Cooper, T.G.;Cruz-Cabeza, A.J. (...)Schweizer, B. Acta Crystallographica Section B: Structural Science. 65(2):107-125
"Parallel genetic algorithms for crystal structure prediction: Successes and failures in predicting bicalutamide polymorphs" (2009) Ferraro, M.B.; Orendt, A.M.; Facelli, J.C. 5th International Conference on Intelligent Computing, ICIC 2009. 5754 LNCS:120-129
"Crystal structure prediction of flexible molecules using parallel genetic algorithms with a standard force field" (2009) Seonah, K.; Orendt, A.M.; Ferraro, M.B.; Facelli, J.C. Journal of Computational Chemistry. 30(13):1973-1985