Lista de

Ferraro, Marta Beatriz
84
2009
8
"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
"Theoretical Study of the Structure and Electronic Properties of Si 3O n -and Si 6O n -(n=1-6) Clusters. Fragmentation and Formation Patterns" (2009) Tiznado, W.;Oña, O.B.;Caputo, M.C. (...)Fuentealba, P. Journal of Chemical Theory and Computation. 5(9):2265-2273
"Theoretical prediction of atomic and electronic structure of neutral Si6 Om (m=1-11) clusters" (2009) Caputo, M.C.; Oña, O.; Ferraro, M.B. Journal of Chemical Physics. 130(13)
"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
"Can induced orbital paramagnetism be controlled by strong magnetic fields?" (2009) Pagola, G.I.; Ferraro, M.B.; Lazzeretti, P. Journal of Chemical Theory and Computation. 5(11):3049-3059
"Calculation of hypershielding contribution to isotropic nitrogen shielding in strong magnetic fields" (2009) Boyd, J.;Pagola, G.I.;Caputo, M.C. (...)Lazzeretti, P. Journal of Chemical Theory and Computation. 5(5):1343-1349