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Hydrogen bonds
110
"Engineering a bifunctional copper site in the cupredoxin fold by loop-directed mutagenesis" (2018) Espinoza-Cara, A.;Zitare, U.;Alvarez-Paggi, D. (...)Vila, A.J. Chemical Science. 9(32):6692-6702
"Topological study of diverse hydrogen-bonded patterns found in a system of a nickel(II) complex and the sulfate anion" (2018) Harvey, M.A.;Suarez, S.;Zolotarev, P.N. (...)Baggio, R. Acta Crystallographica Section C: Structural Chemistry. 74(3):351-359
"Diffusion of Water and Electrolytes in Mesoporous Silica with a Wide Range of Pore Sizes" (2018) Martínez Casillas, D.C.;Longinotti, M.P.;Bruno, M.M. (...)Corti, H.R. Journal of Physical Chemistry C. 122(6):3638-3647
"Synthesis, crystal structure and magnetic properties of diaquabis(2,6-diamino-7H-purin-1-ium-κN9)bis(4,4′-oxydibenzoato-κO)cobalt(II) dihydrate" (2018) Atria, A.M.;Parada, J.;Moreno, Y. (...)Peña, O. Acta Crystallographica Section C: Structural Chemistry. 74(1):37-44
"Analysis of the interactions in FCCF:(H2O) and FCCF:(H2O)2 complexes through the study of their indirect spin–spin coupling constants" (2018) Caputo, M.C.; Alkorta, I.; Provasi, P.F.; Sauer, S.P.A. Molecular Physics. 116(18):2396-2405
"Mechanistic Insights into a Chiral Phosphoric Acid-Catalyzed Asymmetric Pinacol Rearrangement" (2018) Falcone, B.N.; Grayson, M.N.; Rodriguez, J.B. Journal of Organic Chemistry. 83(23):14683-14687
"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
"Role of weak C—H…O and strong N—H…O inter­molecular inter­actions on the high-symmetry mol­ecular packing of trans-cyclo­hexane-1,4-dicarboxamide" (2018) Garcí-Reyes, F.;Fantoni, A.C.;Barón, M. (...)Echeverrí, G.A. Acta Crystallographica Section C: Structural Chemistry. 74(10):1068-1078
"Role of weak C—H…O and strong N—H…O inter­molecular inter­actions on the high-symmetry mol­ecular packing of trans-cyclo­hexane-1,4-dicarboxamide" (2018) Garcí-Reyes, F.;Fantoni, A.C.;Barón, M. (...)Echeverrí, G.A. Acta Crystallographica Section C: Structural Chemistry. 74(10):1068-1078
"Isotopic equilibria in aqueous clusters at low temperatures: Insights from the MB-pol many-body potential" (2018) Videla, P.E.; Rossky, P.J.; Laria, D. Journal of Chemical Physics. 148(8)
"Crystallographic and computational study of a network composed of [ZnCl4]2- anions and triply protonated 4′-functionalized terpyridine cations" (2017) Granifo, J.; Suárez, S.; Boubeta, F.; Baggio, R. Acta Crystallographica Section C: Structural Chemistry. 73(12):1121-1130
"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
"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
"A combined crystallographic, thermal, Raman and computational study on polymorphism and phase transition in 1-(4-hexyloxy-3-hydroxyphenyl)ethanone" (2017) Suárez, S.;Manzano, V.E.;Fantoni, A.C. (...)Baggio, R. Acta Crystallographica Section C: Structural Chemistry. 73(12):1137-1143
"Solvation and Proton-Coupled Electron Transfer Reduction Potential of 2NO• to 1HNO in Aqueous Solution: A Theoretical Investigation" (2017) Venâncio, M.F.; Doctorovich, F.; Rocha, W.R. Journal of Physical Chemistry B. 121(27):6618-6625
"Synthesis, crystal structure and study of the crystal packing in the complex bis(4-aminopyridine-κN1)dichloridocobalt(II)" (2017) Sanchez Montilva, O.C.; Movilla, F.; Rodriguez, M.G.; Di Salvo, F. Acta Crystallographica Section C: Structural Chemistry. 73(5):399-406
"Conformational and structural diversity of iridium dimethyl sulfoxide complexes" (2017) Ridgway, B.M.;Foi, A.;Corrêa, R.S. (...)Di Salvo, F. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 73(6)
"Aromatic nucleophilic substitution in aprotic solvents using hydrogen-bonded biological amines. Kinetic studies and quantum chemical calculations" (2016) Alvaro, C.E.S.;Bergero, F.D.;Bolcic, F.M. (...)Sbarbati Nudelman, N. Journal of Physical Organic Chemistry. 29(11):565-573
"Positional Isotope Exchange in HX·(H2O)n (X = F, I) Clusters at Low Temperatures" (2016) Litman, Y.E.; Videla, P.E.; Rodriguez, J.; Laria, D. Journal of Physical Chemistry A. 120(36):7213-7224
"Structural Study of a Flexible Active Site Loop in Human Indoleamine 2,3-Dioxygenase and Its Functional Implications" (2016) Álvarez, L.;Lewis-Ballester, A.;Roitberg, A. (...)Capece, L. Biochemistry. 55(19):2785-2793
"Structural and theoretical characterization of a new twisted 4′-substituted terpyridine compound: 4′-(isoquinolin-4-yl)-2,2′:6′,2′′-terpyridine" (2016) Granifo, J.;Arévalo, B.;Gaviño, R. (...)Baggio, R. Acta Crystallographica Section C: Structural Chemistry. 72:932-938
"Influence of incorporation of starch nanoparticles in PBAT/TPS composite films" (2016) González Seligra, P.;Eloy Moura, L.;Famá, L. (...)Goyanes, S. Polymer International. 65(8):938-945
"Communication: Isotopic effects on tunneling motions in the water trimer" (2016) Videla, P.E.; Rossky, P.J.; Laria, D. Journal of Chemical Physics. 144(6)
"Hydrogen bond dynamics at water/Pt interfaces" (2016) Videla, P.E.; Ansourian, L.; Laria, D. Journal of Physical Chemistry C. 120(48):27276-27284
"Molecular mechanism of myoglobin autoxidation: Insights from computer simulations" (2015) Arcon, J.P.;Rosi, P.;Petruk, A.A. (...)Estrin, D.A. Journal of Physical Chemistry A. 119(5):1802-1813
"Isotopic Preferential Solvation of I- in Low-Temperature Water Nanoclusters" (2015) Videla, P.E.; Rossky, P.J.; Laria, D. Journal of Physical Chemistry B. 119(35):11783-11790
"The three-component cocrystal 1,3,5-trifluoro-2,4,6-triiodobenzene-pyridine N-oxide-water (1/2/1) built up by halogen bonds, hydrogen bonds and π-π interactions" (2015) Raffo, P.A.; Cukiernik, F.D.; Baggio, R.F. Acta Crystallographica Section C: Structural Chemistry. 71(2):84-88
"Is molecular chirality connected to supramolecular chirality? the particular case of chiral 2-pyridyl alcohols" (2015) Tsang, M.Y.;Di Salvo, F.;Teixidor, F. (...)Vanthuyne, N. Crystal Growth and Design. 15(2):935-945
"Alginate utility in edible and non edible film development and the influence of its macromolecular structure in the antioxidant activity of a pharmaceutical/food interface" (2015) De'Nobili, M.D.;Curto, L.M.;Delfino, J.M. (...)Rojas, A.M. Alginic Acid: Chemical Structure, Uses and Health Benefits:119-169
"Gold and silver anchored cobalt porphyrins used for catalytic water splitting" (2015) Morales Vásquez, M.A.; Suárez, S.A.; Doctorovich, F. Materials Chemistry and Physics. 159:159-166
"Equilibrium and Dynamical Characteristics of Imidazole Langmuir Monolayers on Graphite Sheets" (2015) Rodriguez, J.; Elola, M.D.; Laria, D. Journal of Physical Chemistry B. 119(29):9123-9128
"Hydrogen-Bond Heterogeneity Boosts Hydrophobicity of Solid Interfaces" (2015) Factorovich, M.H.; Molinero, V.; Scherlis, D.A. Journal of the American Chemical Society. 137(33):10618-10623
"Monte carlo-quantum mechanics study of magnetic properties of hydrogen peroxide in liquid water" (2014) Caputo, M.C.;Provasi, P.F.;Benitez, L. (...)Coutinho, K. Journal of Physical Chemistry A. 118(32):6239-6247
"The structure of {[Co(pht)(bpy)(H2O)] 3H2O} n (pht is phthalate and bpy is 4,4'-bipyridine) and the role of solvent water clusters in structure stability" (2014) Harvey, M.A.;Suarez, S.;Doctorovich, F. (...)Baggio, R. Acta Crystallographica Section C: Structural Chemistry. 70(5):440-444
"Chitin hybrid materials reinforced with graphene oxide nanosheets: Chemical and mechanical characterisation" (2014) González, J.A.;Mazzobre, M.F.;Villanueva, M.E. (...)Copello, G.J. RSC Advances. 4(32):16480-16488
"Dendocarbin A: A sesquiterpene lactone from Drimys winteri" (2014) Paz Robles, C.; Burgos, V.; Suarez, S.; Baggio, R. Acta Crystallographica Section C: Structural Chemistry. 70:1007-1010
"Hobartine: A tetracyclic indole alkaloid extracted from Aristotelia chilensis (maqui)" (2014) Paz Robles, C.; Badilla Vidal, N.; Suarez, S.; Baggio, R. Acta Crystallographica Section C: Structural Chemistry. 70:1075-1078
"Halogen⋯halogen contacts for the stabilization of a new polymorph of 9,10-dichloroanthracene" (2014) Foi, A.;Corrêa, R.S.;Ellena, J. (...)Di Salvo, F. Journal of Molecular Structure. 1059(1):1-7
"Surface isotope segregation as a probe of temperature in water nanoclusters" (2014) Videla, P.E.; Rossky, P.J.; Laria, D. Journal of Physical Chemistry Letters. 5(13):2375-2379
"Two drimane lactones, valdiviolide and 11-epivaldiviolide, in the form of a 1:1 cocrystal obtained from Drimys winteri extracts" (2014) Paz Robles, C.; Mercado, D.; Suarez, S.; Baggio, R. Acta Crystallographica Section C: Structural Chemistry. 70:1112-1115
"Nuclear quantum effects on the structure and the dynamics of [H 2O]8 at low temperatures" (2013) Videla, P.E.; Rossky, P.J.; Laria, D. Journal of Chemical Physics. 139(17)
"Three transition-metal complexes with the macrocyclic ligand meso-5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane (L): [Cu(ClO4)2(L)], [Zn(NO3)2(L)] and [CuCl(L)(H2O)]Cl" (2013) Yasmin, S.;Suarez, S.;Doctorovich, F. (...)Baggio, R. Acta Crystallographica Section C: Crystal Structure Communications. 69(8):862-867
"Polyethylene glycol-based low generation dendrimers functionalized with β-cyclodextrin as cryo- and dehydro-protectant of catalase formulations" (2013) Santagapita, P.R.;Mazzobre, M.F.;Cruz, A.G. (...)Buera, M.P. Biotechnology Progress. 29(3):786-795
"Tetraaqua(4,4'-dimethyl-2,2'-bipyridine-κ2 N,N')nickel(II) sulfate monohydrate: A simple molecule with an extremely complex hydrogen-bonding scheme" (2013) Suarez, S.; Doctorovich, F.; Harvey, M.A.; Baggio, R. Acta Crystallographica Section C: Crystal Structure Communications. 69(4):351-355
"Two solvatomorphic forms of a copper complex formulated as Cu( 1)(ClO4)2-1.2H2O and Cu(1)(ClO4)2, where 1 is 3,10-C-meso-3,5,7,7,10,12,14,14-octamethyl-1,4,8,11-tetraazacyclotetradecane" (2013) Nath, B.C.;Suarez, S.;Doctorovich, F. (...)Baggio, R. Acta Crystallographica Section C: Crystal Structure Communications. 69(7):689-695
"Excess protons in water-acetone mixtures" (2012) Semino, R.; Laria, D. Journal of Chemical Physics. 136(19)
"Critical analysis of the through-space transmission of NMR J FH spin-spin coupling constants" (2012) Contreras, R.H.; Ducati, L.C.; Tormena, C.F. International Journal of Quantum Chemistry. 112(19):3158-3163
"CLOPPA analysis of the molecular polarizability and the energy of strong intramolecular hydrogen bonds: Resonance assisted?" (2012) Giribet, C.G.; Ruiz De Azúa, M.C. Journal of Physical Chemistry A. 116(49):12175-12183
"Bis(4-methylphenylsulfonyl)amino 4-methylbenzenesulfonate: A new member of the (RSO2)ON(SO2R)2 family" (2012) Suarez, S.; Doctorovich, F.; Baggio, R. Acta Crystallographica Section C: Crystal Structure Communications. 68(10):o417-o420
"Bis[(dihydrogen pyrophosphatoκ-2 O,O′)(2,2′: 6′,2″-terpyridine-κ3 N,N′,N″)copper(II) ] 4.5-hydrate" (2011) Perec, M.; Baggio, R. Acta Crystallographica Section C: Crystal Structure Communications. 67(5):m140-m144
"A comparative study of the O-3 reactivity of isomeric N-dimethylmaleoyl- protected d-glucosamine and d-allosamine acceptors" (2011) Colombo, M.I.; Stortz, C.A.; Rúveda, E.A. Carbohydrate Research. 346(5):569-576
"The crystal structure of the elusive huemulite" (2011) Colombo, F.; Baggio, R.; Kampf, A.R. Canadian Mineralogist. 49(3):849-864
"Regioselectivity of the glycosylation of N-dimethylmaleoyl-protected hexosamine acceptors. An experimental and DFT approach" (2011) Colombo, M.I.; Rúveda, E.A.; Stortz, C.A. Organic and Biomolecular Chemistry. 9(8):3020-3025
"Effect of electronic interactions on NMR 1JCF and 2JCF couplings in cis- and trans-4-t-butyl-2- fluorocyclohexanones and their alcohol derivatives" (2011) Anizelli, P.R.; Favaro, D.C.; Contreras, R.H.; Tormena, C.F. Journal of Physical Chemistry A. 115(22):5684-5692
"Inter- and intramolecular hydrogen bonds in polyamines: Variable-concentration 1H-NMR studies" (2011) Nudelman, N.S.; Alvaro, C.E.S. Journal of Physical Organic Chemistry. 24(11):1067-1071
"Molecular basis for the substrate stereoselectivity in tryptophan dioxygenase" (2011) Capece, L.;Lewis-Ballester, A.;Marti, M.A. (...)Yeh, S.-R. Biochemistry. 50(50):10910-10918
"Structure of supercooled water in clusters and bulk and its relation to the two-state picture of water: Results from the TIP4P-ice model" (2011) Gelman Constantin, J.;Rodriguez Fris, A.;Appignanesi, G. (...)Corti, H. European Physical Journal E. 34(11)
"Anomalies in supercooled NaCl aqueous solutions: A microscopic perspective" (2011) Longinotti, M.P.; Carignano, M.A.; Szleifer, I.; Corti, H.R. Journal of Chemical Physics. 134(24)
"Fluoride as a probe for h-bonding interactions in the active site of heme proteins: The case of thermobifida fusca hemoglobin" (2011) Nicoletti, F.P.;Droghetti, E.;Boechi, L. (...)Smulevich, G. Journal of the American Chemical Society. 133(51):20970-20980
"Electric-field effects on the interfacial electron transfer and protein dynamics of cytochrome c" (2011) Khoa Ly, H.;Wisitruangsakul, N.;Sezer, M. (...)Hildebrandt, P. Journal of Electroanalytical Chemistry. 660(2):367-376
"Sulfide binding properties of truncated hemoglobins" (2010) Nicoletti, F.P.;Comandini, A.;Bonamore, A. (...)Boffi, A. Biochemistry. 49(10):2269-2278
"Structure and dynamics of liquid methanol confined within functionalized silica nanopores" (2010) Elola, M.D.; Rodriguez, J.; Laria, D. Journal of Chemical Physics. 133(15)
"Modeling ion binding to humic substances: Elastic polyelectrolyte network model" (2010) Orsetti, S.; Andrade, E.M.; Molina, F.V. Langmuir. 26(5):3134-3144
"Aqua-(oxydiacetato-κ3 O,O′,O″)(pyridine-3- carboxamide-κN 1)-copper(II) sesquihydrate" (2010) Perec, M.; Baggio, R. Acta Crystallographica Section C: Crystal Structure Communications. 66(11):m339-m342
"Specific intermolecular interactions of conserved water molecules with amino acids in the Galectin-1 carbohydrate recognition domain" (2010) Di Lella, S.; Petruk, A.A.; De Armiño, D.J.A.; Álvarez, R.M.S. Journal of Molecular Structure. 978(1-3):220-228
"Diaqua-(oxydiacetato-3 O,O′,O″)(pyridine-3- carboxamide-N 1)copper(II)" (2009) Perec, M.; Baggio, R. Acta Crystallographica Section C: Crystal Structure Communications. 65(8):m296-m298
"Comparison of halogen bonding and van der Waals and π-π Inter-actions in 4,5-dibromo-2-hexyl-oxyphenol" (2009) Cukiernik, F.D.; Cecchi, F.; Baggio, R. Acta Crystallographica Section C: Crystal Structure Communications. 65(5):o233-o236
"Polar mixtures under nanoconfinement" (2009) Rodriguez, J.; Elola, M.D.; Laria, D. Journal of Physical Chemistry B. 113(38):12744-12749
"Molecular dynamics simulations of AOT-water/formamide reverse micelles: Structural and dynamical properties" (2008) Pomata, M.H.H.; Laria, D.; Skaf, M.S.; Elola, M.D. Journal of Chemical Physics. 129(24)
"Protons in non-ionic aqueous reverse micelles" (2007) Rodriguez, J.; Martí, J.; Guàrdia, E.; Laria, D. Journal of Physical Chemistry B. 111(17):4432-4439
"Effects of the solvent and temperature on the 2:1 catechol-Al(III)-complex" (2007) Sancho, M.I.;Jubert, A.H.;Blanco, S.E. (...)Castro, E.A. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy. 68(2):387-393
"Hydrogen bond structure and dynamics in aqueous electrolytes at ambient and supercritical conditions" (2006) Guàrdia, E.; Laria, D.; Martí, J. Journal of Physical Chemistry B. 110(12):6332-6338
"Characterization of the farnesyl pyrophosphate synthase of Trypanosoma cruzi by homology modeling and molecular dynamics" (2006) Sigman, L.; Sánchez, V.M.; Turjanski, A.G. Journal of Molecular Graphics and Modelling. 25(3):345-352
"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
"Relaxations in poly(vinyl alcohol) and in poly(vinyl acetate) detected by fluorescence emission of 4-aminophthalimide and prodan" (2005) Barja, B.C.; Chesta, C.; Atvars, T.D.Z.; Aramendía, P.F. Journal of Physical Chemistry B. 109(33):16180-16187
"A molecular dynamics simulation study of hydrogen bonding in aqueous ionic solutions" (2005) Guàrdia, E.; Martí, J.; García-Tarrés, L.; Laria, D. Journal of Molecular Liquids. 117(1-3):63-67
"Classical molecular-dynamics simulation of the hydroxyl radical in water" (2005) Campo, M.G.; Grigera, J.R. Journal of Chemical Physics. 123(8)
"4,4′-Bis(N,N-diethylamino)-2,2′-bi-pyridine" (2004) Alborés, P.; Baraldo, L.M.; Ibañez, A.; Baggio, R. Acta Crystallographica Section C: Crystal Structure Communications. 60(12):o850-o852
"Synthesis and structure of two polymeric barium-oxydiacetates: [Ba(oda)·H2O]n and [Ba(Hoda)2] n (H2oda: Oxydiacetic acid)" (2004) Baggio, R.;Garland, M.T.;Leyva, G. (...)Polla, G. Inorganica Chimica Acta. 357(7):2185-2190
"Substituent effects on scalar 2J(19F,19F) and 3J(19F,19F) NMR couplings: A comparison of SOPPA and DFT methods" (2003) Barone, V.;Provasi, P.F.;Peralta, J.E. (...)Contreras, R.H. Journal of Physical Chemistry A. 107(23):4748-4754
"Trans-1,4-dibromocyclohexane-1,4-dicarboxylic acid" (2003) Echeverría, G.A.; Goeta, A.; Barón, M.; Punte, G. Acta Crystallographica Section E: Structure Reports Online. 59(7):o959-o961
"Polymeric hexaaquahexakis-(μ3-2,2′-oxydiacetato)trizinc(II)-digadolini um(III) dodecahydrate" (2003) Baggio, R.; Perec, M.; Garland, M.T. Acta Crystallographica Section C: Crystal Structure Communications. 59(5):m175-m177
"A new polymeric phase of zinc(II) oxydiacetate" (2003) Baggio, R.; Garland, M.T.; Perec, M. Acta Crystallographica Section C: Crystal Structure Communications. 59(1):m30-m32
"New family of nonionic gemini surfactants. Determination and analysis of interfacial properties" (2002) Castro, M.J.L.; Kovensky, J.; Fernández Cirelli, A. Langmuir. 18(7):2477-2482
"Molecular structure effects on the kinetics of hydroxyl radical addition to azo dyes" (2002) Destaillats, H.; Turjanski, A.G.; Estrin, D.A.; Hoffmann, M.R. Journal of Physical Organic Chemistry. 15(5):287-292
"Stereoelectronic contributions to long-range 1H-1H coupling constants" (2002) Sproviero, E.M.; Burton, G. Journal of Physical Chemistry A. 106(34):7834-7843
"Theoretical study of charge transfer interactions in methanol adsorbed on magnesium oxide" (2002) Branda, M.M.; Peralta, J.E.; Castellani, N.J.; Contreras, R.H. Surface Science. 504:235-243
"Dynamical aspects of isomerization and melting transitions in [H2O]8" (2001) Laria, D.; Rodriguez, J.; Dellago, C.; Chandler, D. Journal of Physical Chemistry A. 105(12):2646-2651
"C-H bond-shortening upon hydrogen bond formation: Influence of an electric field" (2001) Masunov, A.; Dannenberg, J.J.; Contreras, R.H. Journal of Physical Chemistry A. 105(19):4737-4740
"Concertedness and solvent effects in multiple proton transfer reactions: the formic acid dimer in solution" (2000) Kohanoff, J.;Koval, S.;Estrin, D.A. (...)Abashkin, Y. Journal of Chemical Physics. 112(21):9498-9508
"N-nitrosomelatonin" (2000) Turjanski, A.;Chaia, Z.D.;Doctorovich, F. (...)Piro, O.E. Acta Crystallographica, Section C: Crystal Structure Communications. 56(6):682-683
"Hydrogen on the Fe (1̄12) surface and hydrogen pairs near bcc mixed (a/2)[11̄1] dislocation: Electronic structure" (2000) Juan, A.; Brizuela, G.; Irigoyen, B.; Gesari, S. Surface Science. 466(1-3):97-110
"Isomerization, melting, and polarity of model water clusters: (H2O)6 and (H2O)8" (1999) Rodriguez, J. Journal of Chemical Physics. 110(18):9039-9047
"2,4-dinitro-N,N-methylphenylaniline" (1997) Ellena, J.; Punte, G.; Nudelman, N.S. Acta Crystallographica Section C: Crystal Structure Communications. 53(12):1930-1932
"Aqua(2,2′-bipyridyl-N,N′)(thiodiacetato-0,0′,S)zinc(II) tetrahydrate" (1996) Baggio, R.; Perec, M.; Garland, M.T. Acta Crystallographica Section C: Crystal Structure Communications. 52(10):2457-2460