Lista de

calculation
117
"Multiway analysis through direct excitation-emission matrix imaging" (2018) Alcaraz, M.R.;Morzán, E.;Sorbello, C. (...)Etchenique, R. Analytica Chimica Acta. 1032:32-39
"Exhaustive rotamer search of the 4C1 conformation of α- and β-D-galactopyranose" (2017) Del Vigo, E.A.; Marino, C.; Stortz, C.A. Carbohydrate Research. 448:136-147
"Theoretical investigation of the mechanism of nitroxyl decomposition in aqueous solution" (2016) Bringas, M.; Semelak, J.; Zeida, A.; Estrin, D.A. Journal of Inorganic Biochemistry. 162:102-108
"Revisiting the 7Li(p,n)7Be reaction near threshold" (2014) Herrera, M.S.; Moreno, G.A.; Kreiner, A.J. Applied Radiation and Isotopes. 88:243-246
"(Co)oxidation/cyclization processes upon irradiation of triphenylamine" (2014) Bonesi, S.M.;Dondi, D.;Protti, S. (...)Albini, A. Tetrahedron Letters. 55(18):2932-2935
"Co-biosorption of copper and glyphosate by Ulva lactuca" (2013) Trinelli, M.A.; Areco, M.M.; Dos Santos Afonso, M. Colloids and Surfaces B: Biointerfaces. 105:251-258
"Eye gaze reveals a fast, parallel extraction of the syntax of arithmetic formulas" (2012) Schneider, E.; Maruyama, M.; Dehaene, S.; Sigman, M. Cognition. 125(3):475-490
"When order matters:" (2012) Zylberberg, A.; Kamienkowski, J.E.; Farall, A.R.; Sigman, M. Journal of Integrative Neuroscience. 11(4):385-399
"Coelomocyte biomarkers in the earthworm Eisenia fetida exposed to 2,4,6-trinitrotoluene (TNT)" (2011) Fuchs, J.;Piola, L.;González, E.P. (...)Casabé, N. Environmental Monitoring and Assessment. 175(1-4):127-137
"Molecular basis of coupled protein and electron transfer dynamics of cytochrome c in biomimetic complexes" (2010) Alvarez-Paggi, D.;Martín, D.F.;Debiase, P.M. (...)Murgida, D.H. Journal of the American Chemical Society. 132(16):5769-5778
"Copper, zinc, cadmium and lead biosorption by Gymnogongrus torulosus. Thermodynamics and kinetics studies" (2010) Areco, M.M.; Dos Santos Afonso, M. Colloids and Surfaces B: Biointerfaces. 81(2):620-628
"Chromophore structure of cyanobacterial phytochrome Cph1 in the Pr state: Reconciling structural and spectroscopic data by QM/MM calculations" (2009) Mroginski, M.A.;Von Stetten, D.;Escobar, F.V. (...)Hildebrandt, P. Biophysical Journal. 96(10):4153-4163
"Isonymous structure in the white population of Córdoba, Argentina, in 1813" (2007) Colantonio, S.; Fuster, V.; Küffer, C. Human Biology. 79(5):491-500
"A comparative study of the influence of some protecting groups on the reactivity of d-glucosamine acceptors with a galactofuranosyl donor" (2006) Bohn, M.L.; Colombo, M.I.; Stortz, C.A.; Rúveda, E.A. Carbohydrate Research. 341(9):1096-1104
"Dioxygen affinity in heme proteins investigated by computer simulation" (2006) Marti, M.A.;Crespo, A.;Capece, L. (...)Estrin, D.A. Journal of Inorganic Biochemistry. 100(4):761-770
"Heme protein oxygen affinity regulation exerted by proximal effects" (2006) Capece, L.;Marti, M.A.;Crespo, A. (...)Estrin, D.A. Journal of the American Chemical Society. 128(38):12455-12461
"Effect of chlorine as substituent on the photochemistry and acid-base properties of β-carboline alkaloids" (2006) Tarzi, O.I.; Erra-Balsells, R. Journal of Photochemistry and Photobiology B: Biology. 82(2):79-93
"A link between lead and cadmium kinetic speciation in seawater and accumulation by the green alga Ulva lactuca" (2006) Muse, J.O.;Carducci, C.N.;Stripeikis, J.D. (...)Fernández, F.M. Environmental Pollution. 141(1):126-130
"Messages diffuse faster than messengers" (2006) Pando, B.; Dawson, S.P.; Mak, D.-O.D.; Pearson, J.E. Proceedings of the National Academy of Sciences of the United States of America. 103(14):5338-5342
"A density functional for liquid 4He including the pair distribution function" (2005) Szybisz, L.; Urrutia, I. Physics Letters, Section A: General, Atomic and Solid State Physics. 338(2):155-162
"Photochemistry of the alkaloids eudistomin N (6-bromo-nor-harmane) and eudistomin O (8-bromo-nor-harmane) and other bromo-β-carbolines" (2005) Tarzi, O.I.; Erra-Balsells, R. Journal of Photochemistry and Photobiology B: Biology. 80(1):29-45
"Proximal effects in the modulation of nitric oxide synthase reactivity: A QM-MM study" (2005) Fernández, M.L.; Martí, M.A.; Crespo, A.; Estrin, D.A. Journal of Biological Inorganic Chemistry. 10(6):595-604
"Response of Saccharomyces cerevisiae to the combined action of ultrasound and low weight chitosan" (2005) Guerrero, S.; Tognon, M.; Alzamora, S.M. Food Control. 16(2):131-139
"Vacuum polarization around stars: Nonlocal approximation" (2005) Satz, A.; Mazzitelli, F.D.; Alvarez, E. Physical Review D - Particles, Fields, Gravitation and Cosmology. 71(6):1-7
"Comparative study on two freshwater invertebrates for monitoring environmental lead exposure" (2005) Aisemberg, J.; Nahabedian, D.E.; Wider, E.A.; Verrengia Guerrero, N.R. Toxicology. 210(1):45-53
"script O sign(αs2) QCD corrections to the electroproduction of hadrons with high transverse momentum" (2005) Daleo, A.; De Florian, D.; Sassot, R. Physical Review D - Particles, Fields, Gravitation and Cosmology. 71(3):034013-1-034013-9
"A study of substituent effect on1H and13C NMR spectra of mono, di and poly substituted carbazoles" (2005) Bonesi, S.M.; Ponce, M.A.; Erra-Balsells, R. Journal of Heterocyclic Chemistry. 42(5):867-875
"Kinetic method for the determination of trace amounts of copper(II) in water matrices by its catalytic effect on the oxidation of 1,5-diphenylcarbazide" (2005) Crespo, G.A.; Andrade, F.J.; Iñón, F.A.; Tudino, M.B. Analytica Chimica Acta. 539(1-2):317-325
"U-J synergy effect for high-T c superconductors" (2005) Arrachea, L.; Zanchi, D. Physical Review B - Condensed Matter and Materials Physics. 71(6)
"Modeling ring puckering in strained systems: Application to 3,6-anhydroglycosides" (2005) Navarro, D.A.; Stortz, C.A. Carbohydrate Research. 340(12):2030-2038
"Entropic non-triviality, the classical limit and geometry-dynamics correlations" (2005) Kowalski, A.M.; Martin, M.T.; Plastino, A.; Rosso, O.A. International Journal of Modern Physics B. 19(14):2273-2285
"EPR insensitivity of the metal-nitrosyl spin-bearing moiety in complexes [LnRuII-NO.]k" (2004) Frantz, S.;Sarkar, B.;Sieger, M. (...)Záliš, S. European Journal of Inorganic Chemistry(14):2902-2907
"Quasiharmonic free energy and derivatives for many-body interactions: The embedded atom method" (2004) Isoardi, E.P.; Allan, N.L.; Barrera, G.D. Physical Review B - Condensed Matter and Materials Physics. 69(2)
"Nutritional parameters of commercially available milk samples by FTIR and chemometric techniques" (2004) Iñón, F.A.; Garrigues, S.; De La Guardia, M. Analytica Chimica Acta. 513(2):401-412
"A note on Gaussian integrals over para-Grassmann variables" (2004) Cugliandolo, L.F.; Lozano, G.S.; Moreno, E.F.; Schaposnik, F.A. International Journal of Modern Physics A. 19(11):1705-1714
"Rashba coupling in quantum dots: An exact solution" (2004) Tsitsishvili, E.; Lozano, G.S.; Gogolin, A.O. Physical Review B - Condensed Matter and Materials Physics. 70(11):115316-1-115316-11
"Two hadron production in e+e- annihilation to next-to-leading order accuracy" (2004) De Florian, D.; Vanni, L. Physics Letters, Section B: Nuclear, Elementary Particle and High-Energy Physics. 578(1-2):139-149
"Magnetic structure and transport properties of noncollinear LaMn 2X2 (X=Ge,Si) systems" (2004) Di Napoli, S.;Llois, A.M.;Bihlmayer, G. (...)Dreyssé, H. Physical Review B - Condensed Matter and Materials Physics. 70(17):1-10
"Hybridization of impurity states with the Shockley surface band versus bulk states" (2004) Barral, M.A.; Llois, A.M.; Aligia, A.A. Physical Review B - Condensed Matter and Materials Physics. 70(3):035416-1-035416-8
"Structure and energetics of helium films on alkali substrates" (2004) Boninsegni, M.; Szybisz, L. Physical Review B - Condensed Matter and Materials Physics. 70(2):024512-1-024512-9
"Sum rules related to third-order properties: A numerical check" (2003) Caputo, M.C.; Lazzeretti, P. Chemical Physics. 288(2-3):281-289
"Gluon induced contributions to Z γ production at hadron colliders" (2003) Adamson, K.L.; De Florian, D.; Signer, A. Physical Review D. 67(3)
"Adsorption of atoms and fluids on spherical surfaces" (2003) Hernandez, S.; Cole, M.W.; Boninsegni, M. Physical Review B - Condensed Matter and Materials Physics. 68(12)
"Standard thermodynamic properties of solutes in supercritical solvents: Simulation and theory" (2003) Alvarez, J.L.; Fernández-Prini, R.; Marceca, E. Chemical Physics Letters. 381(5-6):771-776
"Adsorption of superfluid 4He films on planar heavy-alkali metals studied with the Orsay-Trento density functional" (2003) Szybisz, L. Physical Review B - Condensed Matter and Materials Physics. 67(13):1325051-1325054
"Conformational studies of novel antiretroviral analogs of zidovudine" (2003) Baumgartner, M.T.;Motura, M.I.;Contreras, R.H. (...)Briñón, M.C. Nucleosides, Nucleotides and Nucleic Acids. 22(1):45-62
"2D- and 3D- potential energy surfaces of β-(1→3)-linked disaccharides calculated with the MM3 force-field" (2003) Stortz, C.A.; Cerezo, A.S. Journal of Carbohydrate Chemistry. 22(3-4):217-239
"The qT spectrum of the Higgs boson at the LHC in QCD perturbation theory" (2003) Bozzi, G.; Catani, S.; De Florian, D.; Grazzini, M. Physics Letters, Section B: Nuclear, Elementary Particle and High-Energy Physics. 564(1-2):65-72
"Calculation of dipole-shielding polarizabilities (σ αβγI): The influence of uniform electric field effects on the shielding of backbone nuclei in proteins" (2003) Boyd, J.;Domene, C.;Redfield, C. (...)Lazzeretti, P. Journal of the American Chemical Society. 125(32):9556-9557
"FRET imaging" (2003) Jares-Erijman, E.A.; Jovin, T.M. Nature Biotechnology. 21(11):1387-1395
"Curvature effects on the surface thickness and tension at the free interface of 4He systems" (2003) Szybisz, L.; Urrutia, I. Physical Review B - Condensed Matter and Materials Physics. 68(5)
"Effect of the polycation nature on the structure of layer-by-layer electrostatically self-assembled multilayers of polyphenol oxidase" (2003) Forzani, E.S.;López Teijelo, M.;Nart, F. (...)Solís, V.M. Biomacromolecules. 4(4):869-879
"A theoretical-experimental study of Wells-Dawson acid. An explanation of their catalytic activity" (2003) Sambeth, J.E.; Baronetti, G.T.; Thomas, H.J. Journal of Molecular Catalysis A: Chemical. 191(1):35-43
"Dark energy, dissipation, and the coincidence problem" (2003) Chimento, L.P.; Jakubi, A.S.; Pavón, D. Physical Review D - Particles, Fields, Gravitation and Cosmology. 67(8)
"Second-harmonic generation in arrays of spherical particles" (2003) Mochán, W.L.; Maytorena, J.A.; Mendoza, B.S.; Brudny, V.L. Physical Review B - Condensed Matter and Materials Physics. 68(8):853181
"Combined impurity and band effects on the appearance of inverse giant magnetoresistance in Cu/Fe multilayers with Cr" (2002) Milano, J.; Llois, A.M.; Steren, L.B. Physical Review B - Condensed Matter and Materials Physics. 66(13):1344051-1344057
"Reconstruction of black hole metric perturbations from the Weyl curvature" (2002) Lousto, C.O.; Whiting, B.F. Physical Review D. 66(2)
"Pharmacophoric pattern of anti-epileptic sulfonamides and sulfamates. Theoretical study of the associated requirements" (2002) Barrios, I.A; Bruno-Blanch, L.E; Estiú, G.L Journal of Molecular Structure: THEOCHEM. 580(1-3):243-250
"Self-consistent estimates of magnetic fields from reheating" (2002) Calzetta, E.; Kandus, A. Physical Review D. 65(6)
"New conformally flat initial data for spinning black holes" (2002) Dain, S.; Lousto, C.O.; Takahashi, R. Physical Review D. 65(10)
"Persistent currents in diffusive metallic cavities: Large values and anomalous scaling with disorder" (2002) Chiappe, G.; Sánchez, M.J. Physical Review B - Condensed Matter and Materials Physics. 65(15):1534091-1534094
"Synergistic warm inflation" (2002) Chimento, L.P.; Jakubi, A.S.; Pavón, D.; Zuccalá, N. Physical Review D - Particles, Fields, Gravitation and Cosmology. 65(8A):835101-835109
"Asymptotic behavior of FRW cosmologies with many scalar fields" (2002) Castagnino, M.; Giacomini, H.; Lara, L. Physical Review D. 65(2)
"Synthesis and isolation of iodocarbazoles. Direct iodination reaction 933 of N-substituted carbazoles" (2002) Monge, M.E.; Bonesi, S.M.; Erra-Balsells, R. Journal of Heterocyclic Chemistry. 39(5):933-941
"Dimming of supernovae by photon-pseudoscalar conversion and the intergalactic plasma" (2002) Deffayet, C.; Harari, D.; Uzan, J.-P.; Zaldarriaga, M. Physical Review D. 66(4)
"Environment effects on the confined surface state of Cu(111) in the presence of Cu nanostructures" (2002) Barral, M.A.; Llois, A.M. Physical Review B - Condensed Matter and Materials Physics. 65(23):2354071-2354076
"Early universe sources for CMB non-gaussianity" (2002) Gangui, A. International Journal of Modern Physics A. 17(29):4273-4280
"Diheteroarylethenes as thermally stable photoswitchable acceptors in photochromic fluorescence resonance energy transfer (pcFRET)" (2002) Giordano, L.; Jovin, T.M.; Irie, M.; Jares-Erijman, E.A. Journal of the American Chemical Society. 124(25):7481-7489
"On the capriciousness of the FCCF Karplus curve" (2002) Kurtkaya, S.;Barone, V.;Peralta, J.E. (...)Snyder, J.P. Journal of the American Chemical Society. 124(33):9702-9703
"Automated biological sequence description by genetic multiobjective generalized clustering" (2002) Zwir, I.; Zaliz, R.R.; Ruspini, E.H. Annals of the New York Academy of Sciences. 980:65-82
"Kinetic, mechanistic, and DFT study of the electrophilic reactions of nitrosyl complexes with hydroxide" (2002) Roncaroli, F.;Ruggiero, M.E.;Franco, D.W. (...)Olabe, J.A. Inorganic Chemistry. 41(22):5760-5769
"Reaction pathways of 2,2,2-trifluoroethylamine and n-butylamine with [Ru(bpy)2(NO)Cl]2+" (2002) Di Salvo, F.; Crespo, A.; Estrin, D.A.; Doctorovich, F. Tetrahedron. 58(21):4237-4244
"Effect of β-cyclodextrin on the hydrolisis of N-phenylphtalamide and N-adamantylphtalamide - A two-sided semiempirical approach" (2002) Granados, A.M.; De Rossi, R.H.; Barbiric, D.A.; Castro, E.A. Journal of Molecular Structure: THEOCHEM. 619(1-3):91-100
"Photophysics of supported dyes: Phthalocyanine on silanized silica" (2002) Iriel, A.; Lagorio, M.G.; Dicelio, L.E.; San Román, E. Physical Chemistry Chemical Physics. 4(2):224-231
"Reissner-Nordström black hole lensing" (2002) Eiroa, E.F.; Romero, G.E.; Torres, D.F. Physical Review D. 66(2)
"Packed bed structure: Evaluation of radial particle distribution" (2002) Mariani, N.J.; Salvat, W.I.; Martínez, O.M.; Barreto, G.F. Canadian Journal of Chemical Engineering. 80(2):186-193
"Total reflection X-ray fluorescence polymer spectra: Classification by taxonomy statistic tools" (2002) Vázquez, C.; Boeykens, S.; Bonadeo, H. Talanta. 57(6):1113-1117
"Infinite-range quantum random Heisenberg magnet" (2002) Arrachea, L.; Rozenberg, M.J. Physical Review B - Condensed Matter and Materials Physics. 65(22):2244301-22443011
"A dynamical model of kinesin-microtubule motility assays" (2001) Gibbons, F.; Chauwin, J.-F.; Despósito, M.; José, J.V. Biophysical Journal. 80(6):2515-2526
"Pairing correlations in electron-doped cuprates" (2001) Aligia, A.A.; Arrachea, L. Physical Review B - Condensed Matter and Materials Physics. 64(21):2145181
"Nitrosation of melatonin by nitric oxide: A computational study" (2001) Turjanski, A.G.;Sáenz, D.A.;Doctorovich, F. (...)Rosenstein, R.E. Journal of Pineal Research. 31(2):97-101
"Varying c and particle horizons" (2001) Chimento, L.P.; Jakubi, A.S.; Pavón, D. Physics Letters, Section B: Nuclear, Elementary Particle and High-Energy Physics. 508(1-2):1-5
"Cosmic microwave background bispectrum from active models of structure formation" (2001) Gangui, A.; Pogosian, L.; Winitzki, S. Physical Review D. 64(4)
"Phase space path integral in curved space" (2001) Ferraro, R.; Lesion, M. International Journal of Modern Physics A. 16(31):5033-5042
"Synthesis and isolation of bromo-β-carbolines obtained by bromination of β-carboline alkaloids" (2001) Ponce, M.A.; Erra-Balsells, R. Journal of Heterocyclic Chemistry. 38(5):1087-1095
"Global phase time and path integral for string cosmological models" (2001) Giribet, G.; Simeone, C. Modern Physics Letters A. 16(1):19-27
"Nielsen-Olesen vortices in noncommutative space" (2001) Lozano, G.S.; Moreno, E.F.; Schaposnik, F.A. Physics Letters, Section B: Nuclear, Elementary Particle and High-Energy Physics. 504(1-2):117-121
"Controlled dephasing of Andreev states in superconducting quantum point contacts" (2001) Despósito, M.A.; Levy Yeyati, A. Physical Review B - Condensed Matter and Materials Physics. 64(14):1405111-1405114
"EPR characteristics of the [(NC) 5 M(NO)] 3- ions (M = Fe, Ru, Os). Experimental and DFT study establishing NO • as a Ligand" (2001) Wanner, M.;Scheiring, T.;Kaim, W. (...)Baerends, E.J. Inorganic Chemistry. 40(22):5704-5707
"Inclusion complexes of 1:2 stoichiometry between azobenzenes and cyclodextrins: A molecular mechanics study" (2001) Barbiric, D.J.; De Rossi, R.H.; Castro, E.A. Journal of Molecular Structure: THEOCHEM. 537(1):235-243
"Comments on the U (2) noncommutative instanton" (2001) Correa, D.H.; Lozano, G.; Moreno, E.F.; Schaposnik, F.A. Physics Letters, Section B: Nuclear, Elementary Particle and High-Energy Physics. 515(1-2):206-212
"Structure, solvation, and bonding in pentacyano(L) ferrate (II) ions (L=aliphatic amine): A density functional study" (2001) Gonz ález-Lebrero, M.C.; Turjanski, A.G.; Olabe, J.A.; Estrin, D.A. Journal of Molecular Modeling. 7(7):201-206
"Modeling NMR chemical shifts: Crystal potential derived point charge (CPPCh) model to calculate solid state effects on 31 P chemical shifts tensors" (2000) Schneider, D.M.; Caputo, M.C.; Ferraro, M.B.; Facelli, J.C. International Journal of Molecular Sciences. 1(4):75-83
"The polar bond-polarizable bond interaction in 1-X,2-methoxy naphthalenes. An experimental and theoretical study" (2000) Contreras, R.H.; Taurian, O.E.; Ortiz, F.S.; Peralta, J.E. Journal of Molecular Structure. 556(1-3):263-273
"Molecular rotational diffusion detected by differential fluorescence energy" (2000) Torga, J.R.; Marconi, M.C.; Martín Negri, R.; Aramendía, P.F. Chemical Physics. 253(2-3):249-257
"Momentum distribution of helium and hydrogen in nanotubes" (2000) Gatica, S.M.;Cole, M.W.;Stan, G. (...)Crespi, V.H. Physical Review B - Condensed Matter and Materials Physics. 62(15):9989-9991
"Thomas-Reiche-Khun populations in X-CH3 and X-C2H5 series of molecules" (2000) Zitto, M.E.; Caputo, M.C.; Ferraro, M.B.; Lazzeretti, P. Chemical Physics. 259(1):1-9
"Occurrence of trichothecenes in Argentinean beer: A preliminary exposure assessment" (2000) Molto, G.;Samar, M.M.;Resnik, S. (...)Pacin, A. Food Additives and Contaminants. 17(9):809-813
"Aqueous nonionic solutes at infinite dilution: Thermodynamic description, including the near-critical region" (2000) Alvarez, J.L.; Fernandez-Prini, R.; Japas, M.L. Industrial and Engineering Chemistry Research. 39(10):3625-3630
"A molecular mechanics study of 1:1 complexes between azobenzene derivatives and β-cyclodextrin" (2000) Barbiric, D.J.; Castro, E.A.; De Rossi, R.H. Journal of Molecular Structure: THEOCHEM. 532(1-3):171-181
"Linear defects on Cu(111): The appearance and disappearance of surface states" (2000) Barral, M.A.; Llois, A.M. Physical Review B - Condensed Matter and Materials Physics. 62(19):12668-12671
"Diffusion coefficients of iodide in high temperature aqueous solutions" (2000) Trevani, L.N.; Calvo, E.; Corti, H.R. Electrochemistry Communications. 2(5):312-316