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Theoretical calculations
18
"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
"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
"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
"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)
"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
"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
"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
"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)
"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
"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)
"Global analysis of helicity parton densities and their uncertainties" (2008) De Florian, D.; Sassot, R.; Stratmann, M.; Vogelsang, W. Physical Review Letters. 101(7)