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energy

"Dramatic Electronic Perturbations of Cu A Centers via Subtle Geometric Changes" (2019) Leguto, A.J.;Smith, M.A.;Morgada, M.N. (...)Vila, A.J. Journal of the American Chemical Society. 141(3):1373-1381

"Structural and mechanistic comparison of the Cyclopropane Mycolic Acid Synthases (CMAS) protein family of Mycobacterium tuberculosis" (2018) Defelipe, L.A.; Osman, F.; Marti, M.A.; Turjanski, A.G. Biochemical and Biophysical Research Communications. 498(2):288-295

"Environmental drivers of ant species richness and composition across the Argentine Pampas grassland" (2018) Ramos, C.S.; Isabel Bellocq, M.; Paris, C.I.; Filloy, J. Austral Ecology. 43(4):424-434

"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

"Observation of a large-scale anisotropy in the arrival directions of cosmic rays above 8 × 10 18 eV" (2017) Aab, A. Science. 357(6357):1266-1270

"Impact of human galectin-1 binding to saccharide ligands on dimer dissociation kinetics and structure" (2016) Romero, J.M.;Trujillo, M.;Estrin, D.A. (...)Di Lella, S. Glycobiology. 26(12):1317-1327

"Detection of the characteristic pion-decay signature in supernova remnants" (2013) Ackermann, M. Science. 339(6121):807-811

"Coordination of peroxide to the CuM center of peptidylglycine α-hydroxylating monooxygenase (PHM): Structural and computational study" (2013) Rudzka, K.;Moreno, D.M.;Eipper, B. (...)Amzel, L.M. Journal of Biological Inorganic Chemistry. 18(2):223-232

"Electrostatically driven second-sphere ligand switch between high and low reorganization energy forms of native cytochrome c" (2013) Alvarez-Paggi, D.;Castro, M.A.;Tórtora, V. (...)Murgida, D.H. Journal of the American Chemical Society. 135(11):4389-4397

"The analysis of conceptual contents of Science curricula and programmes: A possible mediation tool between Science Education research and practice " (2011) Koliopoulos, D.; Adúriz-Bravo, A.; Ravanis, K. Ensenanza de las Ciencias. 29(3):315-324

"Energy and Xmax reconstruction of hadron-initiated showers in surface arrays" (2011) Ros, G.;Medina-Tanco, G.A.;Supanitsky, A.D. (...)Rodríguez Frías, M.D. 32nd International Cosmic Ray Conference, ICRC 2011. 2:194-197

"Two-dimensional electron gas with universal subbands at the surface of SrTiO 3" (2011) Santander-Syro, A.F.;Copie, O.;Kondo, T. (...)Rozenberg, M.J. Nature. 469(7329):189-194

"Effects of glyphosate and polyoxyethylenamine on growth and energetic reserves in the freshwater crayfish Cherax quadricarinatus (Decapoda, Parastacidae)" (2011) Frontera, J.L.; Vatnick, I.; Chaulet, A.; Rodríguez, E.M. Archives of Environmental Contamination and Toxicology. 61(4):590-598

"Measurement of the inelastic proton-proton cross-section at √s = 7 TeV with the ATLAS detector" (2011) Aad, G. Nature Communications. 2(1)

"Heat-induced changes in dairy products containing sucrose" (2010) Rozycki, S.D.; Buera, M.P.; Pauletti, M.S. Food Chemistry. 118(1):67-73

"Linking the structure and thermal stability of β-galactoside-binding protein galectin-1 to ligand binding and dimerization equilibria" (2010) Di Lella, S.;Martí, M.A.;Croci, D.O. (...)Estrin, D.A. Biochemistry. 49(35):7652-7658

"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

"Photolysis of an asymmetrically substituted diazene in solution and in the crystalline state" (2009) Hoijemberg, P.A.;Karlen, S.D.;Sanramé, C.N. (...)García-Garibay, M.A. Photochemical and Photobiological Sciences. 8(7):961-969

"Bond or cage effect: How nitrophorins transport and release nitric oxide" (2008) Martí, M.A.; González Lebrero, M.C.; Roitberg, A.E.; Estrin, D.A. Journal of the American Chemical Society. 130(5):1611-1618

"DFT study on the reactivity of iron porphyrins tuned by ring substitution" (2008) Bikiel, D.E.; Bari, S.E.; Doctorovich, F.; Estrin, D.A. Journal of Inorganic Biochemistry. 102(1):70-76

"Comparative photophysical investigation of oxygen and sulfur as covalent linkers on octaalkylamino substituted zinc(II) phthalocyanines" (2008) Strassert, C.A.; Bilmes, G.M.; Awruch, J.; Dicelio, L.E. Photochemical and Photobiological Sciences. 7(6):738-747

"Nitric Oxide Reactivity with Globins as Investigated Through Computer Simulation" (2008) Marti, M.A.;Capece, L.;Bidon-Chanal, A. (...)Estrin, D.A. Methods in Enzymology. 437:477-498

"Theoretical insight into the hydroxylamine oxidoreductase mechanism" (2008) Fernández, M.L.; Estrin, D.A.; Bari, S.E. Journal of Inorganic Biochemistry. 102(7):1523-1530

"The catalytic mechanism of peptidylglycine α-hydroxylating monooxygenase investigated by computer simulation" (2006) Crespo, A.;Martí, M.A.;Roitberg, A.E. (...)Estrin, D.A. Journal of the American Chemical Society. 128(39):12817-12828

"mm3 Potential energy surfaces of trisaccharide models of λ-, μ-, and ν-carrageenans" (2006) Stortz, C.A. Carbohydrate Research. 341(15):2531-2542

"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

"Level structure and spin-orbit effects in quasi-one-dimensional semiconductor nanostructures" (2005) Romano, C.L.; Ulloa, S.E.; Tamborenea, P.I. Physical Review B - Condensed Matter and Materials Physics. 71(3)

"Determination of the energetic value of fruit and milk-based beverages through partial-least-squares attenuated total reflectance-Fourier transform infrared spectrometry" (2005) Moros, J.; Iñón, F.A.; Garrigues, S.; De La Guardia, M. Analytica Chimica Acta. 538(1-2):181-193

"U-J synergy effect for high-T c superconductors" (2005) Arrachea, L.; Zanchi, D. Physical Review B - Condensed Matter and Materials Physics. 71(6)

"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

"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

"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

"Modeling ring puckering in strained systems: Application to 3,6-anhydroglycosides" (2005) Navarro, D.A.; Stortz, C.A. Carbohydrate Research. 340(12):2030-2038

"Multiple-steering QM-MM calculation of the free energy profile in chorismate mutase" (2005) Crespo, A.; Martí, M.A.; Estrin, D.A.; Roitberg, A.E. Journal of the American Chemical Society. 127(19):6940-6941

"On big rip singularities" (2004) Chimento, L.P.; Lazkoz, R. Modern Physics Letters A. 19(33):2479-2484

"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

"Intriguing examples of inhomogeneous broadening" (2004) Ancilotto, F.;Calbi, M.M.;Cole, M.W. (...)Hernández, E.S. Israel Journal of Chemistry. 44(1-3):229-234

"Modified genetic algorithms to model atomic cluster structures: CuSi clusters" (2004) Oña, O.;Bazterra, V.E.;Caputo, M.C. (...)Facelli, J.C. Journal of Molecular Structure: THEOCHEM. 681(1-3):149-155

"MM3 Potential energy surfaces of α-3-linked L-fucobiose and fucotriose and their sulfated counterparts" (2004) Stortz, C.A. Carbohydrate Research. 339(14):2381-2390

"Cylindrical thin-shell wormholes" (2004) Eiroa, E.E.; Simeone, C. Physical Review D. 70(4 A)

"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

"Melting transition of an Ising glass driven by a magnetic field" (2004) Arrachea, L.; Dalidovich, D.; Dobrosavljević, V.; Rozenberg, M.J. Physical Review B - Condensed Matter and Materials Physics. 69(6):644191

"Half-metallic character and electronic properties of inverse magnetoresistant Fe1-xCoxSi alloys" (2004) Guevara, J.; Vildosola, V.; Milano, J.; Llois, A.M. Physical Review B - Condensed Matter and Materials Physics. 69(18):184422-1-184422-6

"Spin asymmetries for events with high pT hadrons in DIS and an evaluation of the gluon polarization" (2004) Adeva, B. Physical Review D - Particles, Fields, Gravitation and Cosmology. 70(1):012002-1-012002-9

"Exact solutions of Lovelock-Born-Infeld black holes" (2004) Aiello, M.; Ferraro, R.; Giribet, G. Physical Review D - Particles, Fields, Gravitation and Cosmology. 70(10):104014-1-104014-7

"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

"Influence of 4f hybridization on the structural and electronic properties of CeM2Si2(M = Ru, Rh, and Pd)" (2004) Vildosola, V.; Llois, A.M.; Sereni, J.G. Physical Review B - Condensed Matter and Materials Physics. 69(12)

"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)

"Magnetic trends in Mnn nanoclusters effects of uniform relaxations on the magnetic properties" (2004) Guevara, J.; Llois, A.M.; Aguilera-Granja, F.; Montejano-Carrizales, J.M. Physics Letters, Section A: General, Atomic and Solid State Physics. 325(2):144-148

"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

"Specific antibody - DNA interaction: A novel strategy for fight dna recognition" (2003) Di Pietro, S.M.;Centeno, J.M.;Cerutti, M.L. (...)De Prat-Gay, G. Biochemistry. 42(20):6218-6227

"MM3 Potential energy surfaces of the 2-linked glucosyl trisaccharides α-kojitriose and β-sophorotriose" (2003) Stortz, C.A.; Cerezo, A.S. Carbohydrate Research. 338(16):1679-1689

"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

"Excitations in confined Fermi fluids" (2003) Hernández, E.S. International Journal of Modern Physics B. 17(28 II):5255-5265

"Wavelet analysis can sensitively describe dynamics of ethanol evoked local field potentials of the slug (Limax marginatus) brain" (2003) Schütt, A.; Ito, I.; Rosso, O.A.; Figliola, A. Journal of Neuroscience Methods. 129(2):135-150

"Depicting the MM3 potential energy surfaces of trisaccharides by single contour maps: Application to β-cellotriose and α-maltotriose" (2003) Stortz, C.A.; Cerezo, A.S. Carbohydrate Research. 338(1):95-107

"MM3 potential energy surfaces of trisaccharides. II. Carrageenan models containing 3,6-anhydro-D-galactose" (2003) Stortz, C.A.; Cerezo, A.S. Biopolymers. 70(2):227-239

"Interacting quintessence solution to the coincidence problem" (2003) Chimento, L.P.; Jakubi, A.S.; Pavón, D.; Zimdahl, W. Physical Review D - Particles, Fields, Gravitation and Cosmology. 67(8):835131

"Internal symmetry in Bianchi type-I cosmologies" (2003) Chimento, L.P. Physical Review D. 68(2)

"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)

"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)

"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

"New conformally flat initial data for spinning black holes" (2002) Dain, S.; Lousto, C.O.; Takahashi, R. Physical Review D. 65(10)

"Modeling gravitational radiation from coalescing binary black holes" (2002) Baker, J.; Campanelli, M.; Lousto, C.O.; Takahashi, R. Physical Review D. 65(12)

"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

"Angular regimes of ac dynamics and pinning in YBa2Cu3O7 crystals with and without columnar defects" (2002) Pasquini, G.; Civale, L.; Lanza, H.; Nieva, G. Physical Review B - Condensed Matter and Materials Physics. 65(21):2145171-2145178

"Metallonitrosyl fragment as electron acceptor: Intramolecular charge transfer, long range electronic coupling, and electrophilic reactivity in the trans-[NCRu(py)4(CN)Ru(py)4NO]3+ Ion" (2002) Roncaroli, F.; Baraldo, L.M.; Slep, L.D.; Olabe, J.A. Inorganic Chemistry. 41(7):1930-1939

"Potential energy surfaces of carrageenan models: Carrabiose, β-(1→4)-linked D-galactobiose, and their sulfated derivatives" (2002) Stortz, C.A. Carbohydrate Research. 337(21-23):2311-2323

"Kinetics of thermal decoloration of a photomerocyanine in mixtures of protic and nonpolar solvents" (2002) Sciaini, G.;Wetzler, D.E.;Alvarez, J. (...)Japas, M.L. Journal of Photochemistry and Photobiology A: Chemistry. 153(1-3):25-31

"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

"Intermolecular solvent-solute energies for thermodynamic and spectroscopic properties of solutes in near-critical solvents" (2002) Sciaini, G.; Marceca, E.; Fernández-Prini, R. Physical Chemistry Chemical Physics. 4(14):3400-3406

"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

"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

"Wavelet entropy: A new tool for analysis of short duration brain electrical signals" (2001) Rosso, O.A.;Blanco, S.;Yordanova, J. (...)Ba ar, E. Journal of Neuroscience Methods. 105(1):65-75

"Free energy of solid solutions and phase diagrams via quasiharmonic lattice dynamics" (2001) Allan, N.L.;Barrera, G.D.;Fracchia, R.M. (...)Purton, J.A. Physical Review B - Condensed Matter and Materials Physics. 63(9)

"Covariant perturbation theory and the Randall-Sundrum picture" (2001) Alvarez, E.; Mazzitelli, F.D. Physics Letters, Section B: Nuclear, Elementary Particle and High-Energy Physics. 505(1-4):236-242

"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

"Rheological and optical properties in systems containing TiO2 nanoparticles" (2001) Romano, S.D; Acosta, E.O; Dürrschmidt, T.; Kurlat, D.H Colloids and Surfaces A: Physicochemical and Engineering Aspects. 183-185:595-605

"Interaction-induced chaos in a two-electron quantum dot system" (2001) Fendrik, A.J.; Sánchez, M.J.; Tamborenea, P.I. Physical Review B - Condensed Matter and Materials Physics. 63(11)

"Structure and stability of superfluid 4He systems with cylindrical symmetry" (2001) Szybisz, L.; Gatica, S.M. Physical Review B - Condensed Matter and Materials Physics. 64(22):2245231-22452313

"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

"Charge transfer spectroscopy in low-spin d6 pentacyano and pentaammine complexes [14]" (2001) Slep, L.D.; Olabe, J.A. Journal of the American Chemical Society. 123(29):7186-7187

"One-loop graviton corrections to Maxwell's equations" (2001) Dalvit, D.A.R.; Mazzitelli, F.D.; Molina-Pans, C. Physical Review D. 63(8)

"Interacting quintessence" (2001) Zimdahl, W.; Pavón, D.; Chimento, L.P. Physics Letters, Section B: Nuclear, Elementary Particle and High-Energy Physics. 521(3-4):133-138

"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

"Structure, fragmentation and fracture functions" (2000) Garcia Canal, C.A.; Sassot, R. International Journal of Modern Physics A. 15(23):3587-3633

"Natural bond orbitals analysis of C-H ··· O interactions in NCH/H2O and NCH/OCH2, and their effect on nuclear magnetic shielding constants" (1999) Peralta, J.E.; Ruiz De Azúa, M.C.; Contreras, R.H. Journal of Molecular Structure: THEOCHEM. 491(1-3):23-31

"Disaccharide conformational maps: How adiabatic is an adiabatic map?" (1999) Stortz, C.A. Carbohydrate Research. 322(1-2):77-86