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Complexation

"Donor-acceptor interactions: Transition metal carbonyl group ligand [TM(CO) 6 ] q complexes. A case study at correlated level from the topological density point of view" (2019) Bochicchio, R.C.; Lobayan, R.M.; del Valle, C.P. International Journal of Quantum Chemistry. 119(9)

"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

"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

"A mass spectrometry and DFT study of pyrithione complexes with transition metals in the gas phase" (2017) Butler, M.; Cabrera, G.M. Journal of Mass Spectrometry. 52(11):728-738

"Influence of BiOI content on the photocatalytic activity of Bi 2 WO 6 /BiOI/allophane composites and molecular modeling studies of acetaldehyde adsorption" (2017) Hojamberdiev, M.;Kadirova, Z.C.;Makinose, Y. (...)Okada, K. Journal of the Taiwan Institute of Chemical Engineers. 81:258-264

"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

"Molecular Dynamics in Mixed Solvents Reveals Protein-Ligand Interactions, Improves Docking, and Allows Accurate Binding Free Energy Predictions" (2017) Arcon, J.P.;Defelipe, L.A.;Modenutti, C.P. (...)Martí, M.A. Journal of Chemical Information and Modeling. 57(4):846-863

"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)

"IPPP-CLOPPA Analysis of the Influence of the Methylation on the Potential Energy and the Molecular Polarizability of the Hydrogen Bonds in the Cytosine-Guanine Base Pair" (2017) Giribet, C.G.; Ruiz De Azúa, M.C. Journal of Physical Chemistry A. 121(15):2960-2970

"A novel oxido-vanadium(V) Schiff base complex: Synthesis, spectral characterization, crystal structure, electrochemical evaluation, and biological activity" (2016) Ebrahimipour, S.Y.;Mohamadi, M.;Sheikhshoaie, I. (...)Khaleghi, M. Research on Chemical Intermediates. 42(2):611-623

"Formation of complexes between hematite nanoparticles and a non-conventional galactomannan gum. Toward a better understanding on interaction processes" (2015) Busch, V.M.;Loosli, F.;Santagapita, P.R. (...)Stoll, S. Science of the Total Environment. 532:556-563

"Synthesis, characterization, X-ray crystal structure, DFT calculation, DNA binding, and antimicrobial assays of two new mixed-ligand copper(II) complexes" (2015) Ebrahimipour, S.Y.;Sheikhshoaie, I.;Mohamadi, M. (...)Mostafavi, A. Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy. 142:410-422

"Modelling proton and metal binding to humic substances with the NICA-EPN model" (2014) Montenegro, A.C.; Orsetti, S.; Molina, F.V. Environmental Chemistry. 11(3):318-332

"Pb(II) binding to humic substances: An equilibrium and spectroscopic study" (2013) Orsetti, S.; Marco-Brown, J.L.; Andrade, E.M.; Molina, F.V. Environmental Science and Technology. 47(15):8325-8333

"One-step hydrothermal synthesis and photocatalytic performance of ZnWO 4 /Bi 2 WO 6 composite photocatalysts for efficient degradation of acetaldehyde under UV light irradiation" (2013) Hojamberdiev, M.;Katsumata, K.-I.;Morita, K. (...)Okada, K. Applied Catalysis A: General. 457:12-20

"Correlation between pore size and reactivity of macro/mesoporous iron and copper hexacyanoferrates for H2O2 electrocatalysis" (2013) Gonçales, V.R.;Gaitán, M.H.;Bragatto, A.D.O.P. (...)Córdoba De Torresi, S.I. Journal of Electroanalytical Chemistry. 706:48-54

"Aminopropyl-modified mesoporous silica SBA-15 as recovery agents of Cu(II)-sulfate solutions: Adsorption efficiency, functional stability and reusability aspects" (2012) Lombardo, M.V.;Videla, M.;Calvo, A. (...)Soler-Illia, G.J.A.A. Journal of Hazardous Materials. 223-224:53-62

"Structural analysis of methyl 6-O-benzyl-2-deoxy-2-dimethylmaleimido- α-D-allopyranoside by X-ray crystallography, NMR, and QM calculations: Hydrogen bonding and comparison of density functionals" (2012) Colombo, M.I.;Rúveda, E.A.;Gorlova, O. (...)Stortz, C.A. Carbohydrate Research. 353:79-85

"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

"The influence of organic ligands on the adsorption of cadmium by suspended matter in natural waters studied by matrix-assisted laser desorption/ionization time-of-flight mass spectrometry and electrochemical methods" (2010) Minaberry, Y.S.; Gordillo, G.J. Chemosphere. 78(11):1356-1361

"Electrochemical investigations into host-guest interactions of a natural antioxidant compound with β-cyclodextrin" (2010) Ferreira, F.D.R.;Da Silva, E.G.;De Leo, L.P.M. (...)De Abreu, F.C. Electrochimica Acta. 56(2):797-803

"Glyphosate adsorption on montmorillonite: An experimental and theoretical study of surface complexes" (2010) Khoury, G.A.;Gehris, T.C.;Tribe, L. (...)dos Santos Afonso, M. Applied Clay Science. 50(2):167-175

"Encapsulation of cinnamon and thyme essential oils components (cinnamaldehyde and thymol) in β-cyclodextrin: Effect of interactions with water on complex stability" (2010) Ponce Cevallos, P.A.; Buera, M.P.; Elizalde, B.E. Journal of Food Engineering. 99(1):70-75

"Vibrational contributions to vicinal proton-proton coupling constants3JHH" (2010) Esteban, A.L.;Díez, E.;Galache, M.P. (...)Contreras, R.H. Molecular Physics. 108(5):583-595

"Redox-active concanavalin a: Synthesis, characterization, and recognition-driven assembly of interfacial architectures for bioelectronic applications" (2010) Pallarola, D.;Queralto, N.;Knoll, W. (...)Battaglini, F. Langmuir. 26(16):13684-13696

"Carbohydrate-binding proteins: Dissecting ligand structures through solvent environment occupancy" (2009) Gauto, D.F.;Di Lella, S.;Guardia, C.M.A. (...)Martí, M.A. Journal of Physical Chemistry B. 113(25):8717-8724

"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

"The human papillomavirus E7-E2 interaction mechanism in vitro reveals a finely tuned system for modulating available E7 and E2 proteins" (2009) Smal, C.;Wetzler, D.E.;Dantur, K.I. (...)De Prat-Gay, G. Biochemistry. 48(50):11939-11949

"Mesoporous hybrid thin films: Building blocks for complex materials with spatial organization" (2008) Soler-Illia, G.J.;Angelomé, P.C.;Fuertes, M.C. (...)Míguez, H. 2007 MRS Spring Meeting. 1007:75-86

"Synthesis and antiviral activity of azoles obtained from carbohydrates" (2008) Barradas, J.S.;Errea, M.I.;D'Accorso, N.B. (...)Damonte, E.B. Carbohydrate Research. 343(14):2468-2474

"CLOPPA-IPPP analysis of cooperative effects in hydrogen-bonded molecular complexes. Application to intermolecular2hJ(N,C) spin-spin coupling constants in linear (CNH)n Complexes" (2008) Giribet, C.G.; Ruiz De Azúa, M.C. Journal of Physical Chemistry A. 112(18):4386-4393

"Some aspects of the glyphosate adsorption on montmorillonite and its calcined form" (2007) Damonte, M.; Torres Sánchez, R.M.; dos Santos Afonso, M. Applied Clay Science. 36(1-3):86-94

"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

"Simulation of heme using DFT + U: A step toward accurate spin-state energetics" (2007) Scherlis, D.A.; Cococcioni, M.; Sit, P.; Marzari, N. Journal of Physical Chemistry B. 111(25):7384-7391

"Exchange coupling across the cyanide bridge: Structural and DFT interpretation of the magnetic properties of a binuclear chromium(iii) complex" (2006) Alborés, P.;Slep, L.D.;Weyhermüller, T. (...)Baraldo, L.M. Dalton Transactions(7):948-954

"Hypothyroid phenotype is contributed by mitochondrial complex I inactivation due to translocated neuronal nitric-oxide synthase" (2006) Franco, M.C.;Antico Arciuch, V.G.;Peralta, J.G. (...)Carreras, M.C. Journal of Biological Chemistry. 281(8):4779-4786

"Binding of Pb(II) in the system humic acid/goethite at acidic pH" (2006) Orsetti, S.; de las Mercedes Quiroga, M.; Andrade, E.M. Chemosphere. 65(11):2313-2321

"Enantiospecific synthesis of both enantiomers of 2-benzyloxydihydropyran-3- ones from arabinose" (2005) Uhrig, M.L.; Varela, O. Synthesis(6):893-898

"Free energy contributions to direct readout of a DNA sequence" (2005) Ferreiro, D.U.; Dellarole, M.; Nadra, A.D.; De Prat-Gay, G. Journal of Biological Chemistry. 280(37):32480-32484

"Formation of coordinated nitrosamines by reaction of K[IrCl5NO] with primary amines" (2005) Doctorovich, F.;Di Salvo, F.;Escola, N. (...)Shimon, L. Organometallics. 24(20):4707-4709

"CLOPPA-IPPP analysis of electronic mechanisms of intermolecular 1hJ(A,H) and2hJ(A,D) spin-spin coupling constants in systems with D-H⋯A hydrogen bonds" (2005) Giribet, C.G.; Ruiz De Azúa, M.C. Journal of Physical Chemistry A. 109(51):11980-11988

"Nitric oxide interaction with cytochrome c′ and its relevance to guanylate cyclase. Why does the iron histidine bond break?" (2005) Martí, M.A.;Capece, L.;Crespo, A. (...)Estrin, D.A. Journal of the American Chemical Society. 127(21):7721-7728

"Continuous-flow/stopped-flow system for enzyme immunoassay using a rotating bioreactor: Determination of Chagas disease" (2005) Salinas, E.;Torriero, A.A.J.;Battaglini, F. (...)Raba, J. Biosensors and Bioelectronics. 21(2):313-321

"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

"Role of complexing agents in the appearance of Turing patterns" (2004) Strier, D.E.; Dawson, S.P. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 69(6 2):066207-1-066207-10

"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

"Mechanism of hydrogen sulfide oxidation by manganese(IV) oxide in aqueous solutions" (2003) Herszage, J.; Dos Santos Afonso, M. Langmuir. 19(23):9684-9692

"Evaluation of sorption and desorption characteristics of cadmium, lead and zinc on amberlite IRC-718 iminodiacetate chelating ion exchanger" (2002) Malla, M.E.; Alvarez, M.B.; Batistoni, D.A. Talanta. 57(2):277-287

"A complex containing three different kinds of Ru-N bonds: Ethoxydinitro-nitrosyl(N, N, N′, N′-tetramethylethylenediamine-κ 2N, N′)ruthenium(II)" (2002) Albores, P.;Chaia, Z.D.;Baraldo, L. (...)Piro, O.E. Acta Crystallographica Section C: Crystal Structure Communications. 58(4):m235-m236

"Lyotropic behavior of diruthenium (II,III) alkoxybenzoates in dodecane" (2002) Rusjan, M.;Donnio, B.;Heinrich, B. (...)Guillon, D. Langmuir. 18(26):10116-10121

"Generation of Sequence-specific, High Affinity Anti-DNA Antibodies" (2001) Cerutti, M.L.; Centeno, J.M.; Goldbaum, F.A.; De Prat-Gay, G. Journal of Biological Chemistry. 276(16):12769-12773

"Dissolution of nickel oxide in oxalic acid aqueous solutions" (2001) Figueroa, C.A.; Sileo, E.E.; Morando, P.J.; Blesa, M.A. Journal of Colloid and Interface Science. 244(2):353-358

"Stabilization of aliphatic and aromatic diazonium ions by coordination: An experimental and theoretical study" (2000) Doctorovich, F.;Escola, N.;Trápani, C. (...)Turjanski, A.G. Organometallics. 19(19):3810-3817

"Complexation of methylphosphonic acid with the surface of goethite particles in aqueous solution" (1999) Barja, B.C.; Tejedor-Tejedor, M.I.; Anderson, M.A. Langmuir. 15(7):2316-2321