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Structural optimization
7
"Structures and energetics of BenGen (n = 1–5) and Be2 nGen (n = 1–4) clusters" (2017) Fioressi, S.E.; Bacelo, D.E. Molecular Physics. 115(13):1502-1513
"Atomistic simulation of soldering iron filled carbon nanotubes" (2014) Munizaga, V.;García, G.;Bringa, E. (...)Kiwi, M. Computational Materials Science. 92:457-463
"Atomistic simulation of soldering iron filled carbon nanotubes" (2014) Munizaga, V.;García, G.;Bringa, E. (...)Kiwi, M. Computational Materials Science. 92:457-463
"Optimization of crystal structures of archetypical pharmaceutical compounds: A plane-wave DFT-D study using Quantum Espresso" (2013) Lund, A.M.;Orendt, A.M.;Pagola, G.I. (...)Facelli, J.C. Crystal Growth and Design. 13(5):2181-2189
"Transition from exo to endo Cu absorption in CuSin clusters: A genetic algorithms density functional theory study" (2011) Oña, O.B.; Ferraro, M.B.; Facelli, J.C. Molecular Simulation. 37(8):678-688
"Silica-alginate-fungi biocomposites for remediation of polluted water" (2010) Perullini, M.;Jobbágy, M.;Mouso, N. (...)Bilmes, S.A. Journal of Materials Chemistry. 20(31):6479-6483
"Prediction of structures and related properties of silicon clusters" (2007) Ferraro, M.B. Journal of Computational Methods in Sciences and Engineering. 7(3-4):195-217