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NMR

"Foundations of the LRESC model for response properties and some applications" (2018) Aucar, G.A.; Melo, J.I.; Aucar, I.A.; Maldonado, A.F. International Journal of Quantum Chemistry. 118(1)

"Three new dihydro-β-agarofuran sesquiterpenes from the seeds of Maytenus boaria" (2018) Paz, C.;Heydenreich, M.;Schmidt, B. (...)Baggio, R. Acta Crystallographica Section C: Structural Chemistry. 74(5):564-570

"A dihydro-β-agarofuran sesquiterpene from Maytenus boaria" (2017) Paz, C.;Von Dossow, D.;Tiznado, V. (...)Baggio, R. Acta Crystallographica Section C: Structural Chemistry. 73(6):451-457

"Rheology and stability of citral/sugar microemulsions" (2015) Sosa, N.; Schebor, C.; Pérez, O.E. Food Engineering Series:361-366

"1H-NMR and isotopic fingerprinting of olive oil and its unsaponifiable fraction: Geographical origin of virgin olive oils by pattern recognition" (2015) Alonso-Salces, R.M.;Segebarth, N.;Garmón-Lobato, S. (...)Héberger, K. European Journal of Lipid Science and Technology. 117(12):1991-2006

"Cornflake Production Process: State Diagram and Water Mobility Characteristics" (2014) Farroni, A.E.; del Pilar Buera, M. Food and Bioprocess Technology:1-10

"Cornflake Production Process: State Diagram and Water Mobility Characteristics" (2014) Farroni, A.E.; del Pilar Buera, M. Food and Bioprocess Technology. 7(10):2902-2911

"Core-dependent and ligand-dependent relativistic corrections to the nuclear magnetic shieldings in MH4−nYn (n = 0–4; M = Si, Ge, Sn, and Y = H, F, Cl, Br, I) model compounds" (2014) Maldonado, A.F.; Aucar, G.A.; Melo, J.I. Journal of Molecular Modeling. 20(9)

"Determination of the position of the N-O function in substituted pyrazine N-oxides by chemometric analysis of carbon-13 nuclear magnetic resonance data" (2013) Butler, M.; Cabrera, G.M. Journal of Molecular Structure. 1043:37-42

"The structures of two aldazines: [1,1′-(1E,1′E)-hydrazine-1,2- diylidenebis(methan-1-yl-1-ylidene)dinaphthalen-2-ol] (Lumogen) and 2,2′-(1E,1′E)-hydrazine-1,2-diylidenebis(methan-1-yl-1-ylidene) diphenol (salicylaldazine) in the solid state and in solution" (2013) Silva, A.M.S.;Silva, V.L.M.;Claramunt, R.M. (...)Elguero, J. Magnetic Resonance in Chemistry. 51(9):530-540

"Physicochemical and antimicrobial properties of bovine and salmon gelatin-chitosan films" (2013) Matiacevich, S.; Cofré, D.C.; Schebor, C.; Enrione, J. CYTA - Journal of Food. 11(4):366-378

"Characterization of oil complex hydrocarbon mixtures by HSQC-NMR spectroscopy and PCA" (2013) Rios, S.M.; Barquín, M.; Nudelman, N.S. Journal of Physical Organic Chemistry

"Structure of the lectin mannose 6-phosphate receptor homology (MRH) domain of glucosidase II, an enzyme that regulates glycoprotein folding quality control in the endoplasmic reticulum" (2013) Olson, L.J.;Orsi, R.;Alculumbre, S.G. (...)Dahms, N.M. Journal of Biological Chemistry. 288(23):16460-16475

"Analysis of the interactions between difluoroacetylene and one or two hydrogen fluoride molecules based on calculated spin-spin coupling constants" (2012) Provasi, P.F.;Caputo, M.C.;Sauer, S.P.A. (...)Elguero, J. Computational and Theoretical Chemistry. 998:98-105

"Alternative ground states enable pathway switching in biological electron transfer" (2012) Abriata, L.A.;Álvarez-Paggi, D.;Ledesma, G.N. (...)Murgida, D.H. Proceedings of the National Academy of Sciences of the United States of America. 109(43):17348-17353

"1H, 15N and 13C chemical shift assignments of the BA42 protein of the psychrophilic bacteria Bizionia argentinensis sp. nov" (2012) Smal, C.;Aran, M.;Lanzarotti, E. (...)Cicero, D.O. Biomolecular NMR Assignments. 6(2):181-183

"1H, 15N and 13C chemical shift assignments of the BA42 protein of the psychrophilic bacteria Bizionia argentinensis sp. nov" (2011) Smal, C.;Aran, M.;Lanzarotti, E. (...)Cicero, D.O. Biomolecular NMR Assignments:1-3

"Spray-drying encapsulation of citral in sucrose or trehalose matrices: Physicochemical and sensory characteristics" (2011) Sosa, N.; Zamora, M.C.; Chirife, J.; Schebor, C. International Journal of Food Science and Technology. 46(10):2096-2102

"19F chemical shifts, coupling constants and conformational preferences in monosubstituted perfluoroparacyclophanes" (2011) Ghiviriga, I.;Zhang, L.;Martinez, H. (...)Dolbier Jr., W.R. Magnetic Resonance in Chemistry. 49(3):93-105

"NMR spin-spin coupling constants and hyperconjugative interactions" (2010) Contreras, R.H.;Suardíaz, R.;Pérez, C. (...)De La García Vega, J.M. International Journal of Quantum Chemistry. 110(3):532-539

"1H and 13C spectral assignment of substituted 5H-[1,3]thiazolo[2,3-b]quinazolin-5-one and 12H-[1,3]benzothiazolo[2,3-b] quinazolin-12-one" (2009) Docampo Palacios, M.L.; Fascio, M.L.; Villalobo, A.F.; Pellón, R.F. Magnetic Resonance in Chemistry. 47(2):174-178

"The effect of carbonyl group in the asymmetry of3,4J CH coupling constants in norbornanones" (2008) Dos Santos, F.P.;Tormena, C.F.;Contreras, R.H. (...)Magalhães, A. Magnetic Resonance in Chemistry. 46(2):107-109

"Vibrational spectra, NMR and theoretical studies of the enantiomers and rotamers of alpha-cypermethrin" (2007) Jubert, A.H.;Alegre, M.L.;Diez, R.P. (...)Szewczuk, V.D. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy. 66(4-5):1208-1221

"Stereochemical study of iminodihydrofurans based on experimental measurements and SOPPA calculations of13C-13C spin-spin coupling constants" (2007) Krivdin, L.B.;Khutsishvili, S.S.;Shemyakina, O.A. (...)Contreras, R.H. Magnetic Resonance in Chemistry. 45(9):758-765

"Ring current effects on nuclear magnetic shielding of carbon in the benzene molecule" (2005) Ferraro, M.B.;Faglioni, F.;Ligabue, A. (...)Lazzeretti, P. Magnetic Resonance in Chemistry. 43(4):316-320

"Influence of the cure level on the monomeric friction coefficient of natural rubber vulcanizates" (2004) Marzocca, A.J.; Steren, C.A.; Raimondo, R.B.; Cerveny, S. Polymer International. 53(6):646-655

"Substituent effects on scalar J(13C, 13C) couplings in pyrimidines. An experimental and DFT study" (2004) De Kowalewski, D.G.;Díez, E.;Esteban, A.L. (...)Contreras, R.H. Magnetic Resonance in Chemistry. 42(11):938-943

"Modeling solid-state effects on NMR chemical shifts using electrostatic models" (2004) Di Fiori, N.;Orendt, A.M.;Caputo, M.C. (...)Facelli, J.C. Magnetic Resonance in Chemistry. 42(SPLISS1):S41-S47

"Influence of σ-hyperconjugative interactions on 13C substituent chemical shifts: Experimental and theoretical study in 1-X,3-CH 3-bicyclo[1.1.1]pentanes" (2004) Contreras, R.H.;Esteban, A.L.;Díez, E. (...)Lochert, I.J. Magnetic Resonance in Chemistry. 42(SPLISS1):S202-S206

"NMR and molecular dynamics studies of the interaction of melatonin with calmodulin" (2004) Turjanski, A.G.;Estrin, D.A.;Rosenstein, R.E. (...)Martorana, V. Protein Science. 13(11):2925-2938

"Computation and analysis of 19F substituent chemical shifts of some bridgehead-substituted polycyclic alkyl fluorides" (2003) Adcock, W.; Peralta, J.E.; Contreras, R.H. Magnetic Resonance in Chemistry. 41(7):503-508

"Low resolution 1H-pulsed NMR for sugar crystallization studies" (2003) Gallo, A.; Mazzobre, M.F.; Buera, M.P.; Herrera, M.L. Latin American Applied Research. 33(2):97-102

"Crystallization kinetics of concentrated α,α-trehalose and α,α-trehalose/salt solutions studied by low-resolution 1H-pulsed NMR" (2002) Gallo, A.; Buera, M.P.; Herrera, M.L. Journal of Food Science. 67(4):1331-1336

"NMR spectroscopy and chemical studies of an arabinan-rich system from the endosperm of the seed of Gleditsia triacanthos" (2002) Navarro, D.A.; Cerezo, A.S.; Stortz, C.A. Carbohydrate Research. 337(3):255-263

"Non-empirical calculations of NMR indirect carbon-carbon coupling constants: 1. Three-membered rings" (2002) Krivdin, L.B.; Sauer, S.P.A.; Peralta, J.E.; Contreras, R.H. Magnetic Resonance in Chemistry. 40(3):187-194

"Is there a bridging ligand in metal-substituted zinc β-lactamases? A spectroscopic and theoretical answer" (2002) Estiú, G.L.;Rasia, R.M.;Cricco, J.A. (...)Zerner, M.C. International Journal of Quantum Chemistry. 88(1):118-132

"Natural J coupling (NJC) analysis of the electron lone pair effect on NMR couplings: Part 1. the lone pair orientation effect of an α-nitrogen atom on1J(C,C) couplings" (2001) Barone, V.;Peralta, J.E.;Contreras, R.H. (...)Krivdin, L.B. Magnetic Resonance in Chemistry. 39(10):600-606

"A DFT/GIAO/NBO and experimental study of 13C SCSs in 1-X-bicyclo[1.1.1]pentanes" (2000) Della, E.W.; Lochert, I.J.; Peralta, J.E.; Contreras, R.H. Magnetic Resonance in Chemistry. 38(6):395-402

"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

"DFT-GIAO and DFT-NBO studies of the origin of 19F NMR shielding effects in alkyl fluorides" (1999) Adcock, W.; Lünsmann, D.; Peralta, J.E.; Contreras, R.H. Magnetic Resonance in Chemistry. 37(3):167-172

"Mechanistic studies of the rearrangements of steroidal 16,17-ketols and syntheses of 20→16-cis-γ-carbolactones" (1999) Bruttomesso, A.C.; Doller, D.; Gros, E.G. Bioorganic and Medicinal Chemistry. 7(5):943-947

"Intramolecular electric field effect on a 1J(C,H) NMR spin-spin coupling constant. An experimental and theoretical study" (1999) De Kowalewski, D.G.;Kowalewski, V.J.;Peralta, J.E. (...)Díez, E. Magnetic Resonance in Chemistry. 37(3):227-231

"Methyl β-substituent effect on NMR 17O chemical shifts in two-coordinated oxygen atoms: DFT GIAO and NBO and experimental studies" (1999) Peralta, J.E.;Contreras, R.H.;Taurian, O.E. (...)Kowalewski, V.J. Magnetic Resonance in Chemistry. 37(1):31-35

"Conformational effects on 13C NMR parameters in alkyl formates" (1998) De Kowalewski, D.G.;Kowalewski, V.J.;Contreras, R.H. (...)Esteban, A.L. Magnetic Resonance in Chemistry. 36(5):336-342

"Preparation and NMR characterization of new substituted benzo[a]phenazines" (1998) Benedetti-Doctorovich, V.; Escola, N.; Burton, G. Magnetic Resonance in Chemistry. 36(7):529-532

"Experimental and theoretical study of the ethoxy group conformational effect on 13c chemical shifts in ortho-substituted phenetols" (1997) De Kowalewski, D.G.;Kowalewski, V.J.;Botek, E. (...)Facelli, J.C. Magnetic Resonance in Chemistry. 35(6):351-356

"RPA AM1 calculations of NMR spin-spin coupling constants: Geminal 119Sn-119Sn couplings" (1996) Aucar, G.A.;Botek, E.;Gómez, S. (...)Contreras, R.H. Journal of Organometallic Chemistry. 524(1-2):1-7

"NMR study of substituted 1-Bromo-2-aryloxyethanes and monosubstituted xanthones" (1996) Pomilio, A.B.;Tettamanzi, M.C.;Romanelli, G.P. (...)Vitale, A.A. Magnetic Resonance in Chemistry. 34(2):165-171

"Cyclothioacetals and cycloacetals of androst-4-ene-3,17-dione and related compounds. 13C NMR spectral assignments" (1996) Caballero, G.M.; Gros, E.G. Magnetic Resonance in Chemistry. 34(2):162-164

"Methoxy group conformation effects on 13C NMR parameters in 1‐cis‐methoxy‐ and 1‐trans‐methoxy‐1,3‐trans‐butadiene" (1994) Esteban, A.L.;Galache, M.P.;Diez, E. (...)Contreras, R.H. Magnetic Resonance in Chemistry. 32(4):199-204

"Conformational analysis of 5,6,7‐trisubstituted flavones: 13C NMR and molecular mechanics study" (1991) Biekofsky, R.R.; Buschi, C.A.; Pomilio, A.B. Magnetic Resonance in Chemistry. 29(6):569-575

"Theoretical IPPP analysis of 13C‐31 P through‐space indirect couplings in phosphorus‐substituted alkenes" (1987) Diz, A.C.;Giribet, C.G.;de Azúa, M.C.R. (...)Aucar, G.A. Magnetic Resonance in Chemistry. 25(10):883-888