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Theoretical calculations

"Studies of 4-arylthiazolylhydrazones derived from 1-indanones as Trypanosoma cruzi squalene epoxidase inhibitors by molecular simulations" (2018) Noguera, G.J.; Fabian, L.E.; Lombardo, E.; Finkielsztein, L.M. Organic and Biomolecular Chemistry. 16(44):8525-8536

"Long-range anisotropic effects in a V–shaped Tröger's base diformanilide: Conformational study by NMR assignment and DFT calculations" (2018) Trupp, L.;Laurella, S.L.;Tettamanzi, M.C. (...)Bruttomesso, A.C. Journal of Molecular Structure. 1157:434-443

"Measurement of the Soft-Drop Jet Mass in pp Collisions at √ s=13 TeV with the ATLAS detector" (2018) Aaboud, M. Physical Review Letters. 121(9)

"Oxalic acid at the TiO2/water interface under UV(A) illumination: Surface reaction mechanisms" (2015) Mendive, C.B.;Bredow, T.;Schneider, J. (...)Bahnemann, D. Journal of Catalysis. 322:60-72

"Mesoporous hybrid thin film membranes with PMETAC@Silica architectures: Controlling ionic gating through the tuning of polyelectrolyte density" (2015) Andrieu-Brunsen, A.;Micoureau, S.;Tagliazucchi, M. (...)Soler-Illia, G.J.A.A. Chemistry of Materials. 27(3):808-821

"Intramolecular carbolithiation-cyclization-electrophilic substitution: Solvent effect and mechanistic study" (2014) Rodriguez, C.; Nudelman, N.S. Journal of Physical Organic Chemistry. 34(4):322-326

"Electron impact multiple ionization" (2014) Montanari, C.C.; Miraglia, J.E. 28th International Conference on Photonic, Electronic and Atomic Collisions, ICPEAC 2013. 488(SECTION 4)

"Unusual through-space, TS, pathway for the transmission of JFHf coupling: 2-fluorobenzaldehyde study case" (2013) Favaro, D.C.; Contreras, R.H.; Tormena, C.F. Journal of Physical Chemistry A. 117(33):7939-7945

"Experimental Compton profiles of Be, Al and Ti and comparisons to generalized gradient approximation calculations" (2013) Aguiar, J.C.; Di Rocco, H.O.; Mitnik, D. Journal of Physics and Chemistry of Solids. 74(10):1341-1348

"Antiproton, proton and electron impact multiple ionization of rare gases" (2012) Montanari, C.C.; Miraglia, J.E. Journal of Physics B: Atomic, Molecular and Optical Physics. 45(10)

"Addition and redox reactivity of hydrogen sulfides (H2S/HS -) with nitroprusside: New chemistry of nitrososulfide ligands" (2011) Quiroga, S.L.;Almaraz, A.E.;Amorebieta, V.T. (...)Olabe, J.A. Chemistry - A European Journal. 17(15):4145-4156

"A wide mechanistic spectrum observed in three different reactions with organometallic reagents" (2010) Rodríguez, C.; Vázquez, A.J.; Nudelman, N.S. Journal of Physical Organic Chemistry. 23(10):978-984

"Light generation at the anomalous dispersion high energy range of a nonlinear opal film" (2009) Botey, M.;Maymó, M.;Molinos-Gómez, A. (...)Martorell, J. Optics Express. 17(15):12210-12216

"Novel Au-Ag hybrid device for electrochemical SE(R)R spectroscopy in a wide potential and spectral range" (2009) Feng, J.-J.;Gernert, U.;Sezer, M. (...)Weidinger, I.M. Nano Letters. 9(1):298-303

"Experimental and theoretical study of the energy loss of Be and B ions in Zn" (2009) Cantero, E.D.;Fadanelli, R.C.;Montanari, C.C. (...)Arista, N.R. Physical Review A - Atomic, Molecular, and Optical Physics. 79(4)

"Global analysis of helicity parton densities and their uncertainties" (2008) De Florian, D.; Sassot, R.; Stratmann, M.; Vogelsang, W. Physical Review Letters. 101(7)

"Endohedrally confined helium: Study of mirror collapses" (2008) Mitnik, D.M.; Randazzo, J.; Gasaneo, G. Physical Review A - Atomic, Molecular, and Optical Physics. 78(6)