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Quantum theory
382
"Quantum work for sudden quenches in Gaussian random Hamiltonians" (2018) Arrais, E.G.;Wisniacki, D.A.;Céleri, L.C. (...)Toscano, F. Physical Review E. 98(1)
"Finite-temperature effects in helical quantum turbulence" (2018) Clark Di Leoni, P.; Mininni, P.D.; Brachet, M.E. Physical Review A. 97(4)
"Comment on "modified quantum-speed-limit bounds for open quantum dynamics in quantum channels"" (2018) Mirkin, N.; Toscano, F.; Wisniacki, D.A. Physical Review A. 97(4)
"Photonic quantum simulator for unbiased phase covariant cloning" (2018) Knoll, L.T.; López Grande, I.H.; Larotonda, M.A. Applied Physics B: Lasers and Optics. 124(1)
"Landauer's formula breakdown for radiative heat transfer and nonequilibrium Casimir forces" (2018) Rubio López, A.E.; Poggi, P.M.; Lombardo, F.C.; Giannini, V. Physical Review A. 97(4)
"Contrary quantum histories and contrary inferences" (2018) Losada, M. Physica A: Statistical Mechanics and its Applications. 503:379-389
"Spot-beam effect in grazing atom-surface collisions: From quantum to classical" (2018) Frisco, L.; Miraglia, J.E.; Gravielle, M.S. Journal of Physics Condensed Matter. 30(40)
"Structure and electrical properties of a one-dimensional polymeric silver thiosaccharinate complex with argentophilic interactions:" (2018) Dennehy, M.;Amo-Ochoa, P.;Freire, E. (...)Baggio, R. Acta Crystallographica Section C: Structural Chemistry. 74(2):186-193
"Structure and electrical properties of a one-dimensional polymeric silver thiosaccharinate complex with argentophilic interactions:" (2018) Dennehy, M.;Amo-Ochoa, P.;Freire, E. (...)Baggio, R. Acta Crystallographica Section C: Structural Chemistry. 74(2):186-193
"Distinguishing computable mixtures of quantum states" (2018) Grande, I.H.L.;Senno, G.;De La Torre, G. (...)Acín, A. Physical Review A. 97(5)
"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
"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
"Nonsignaling Deterministic Models for Nonlocal Correlations have to be Uncomputable" (2017) Bendersky, A.;Senno, G.;De La Torre, G. (...)Acín, A. Physical Review Letters. 118(13)
"Diblock copolymer bilayers as model for polymersomes: A coarse grain approach" (2017) Grillo, D.A.;Albano, J.M.R.;Mocskos, E.E. (...)Ferraro, M.B. Journal of Chemical Physics. 146(24)
"Quantum-to-classical transition in the work distribution for chaotic systems" (2017) García-Mata, I.; Roncaglia, A.J.; Wisniacki, D.A. Physical Review E. 95(5)
"Second-harmonic generation from plasmon polariton excitation on silver diffraction gratings: Comparisons of theory and experiment" (2017) Inchaussandague, M.E.;Gigli, M.L.;O'donnell, K.A. (...)Valencia, C.I. Journal of the Optical Society of America B: Optical Physics. 34(1):27-37
"Quantum friction imprints on the geometric phase of a moving atom in front of a dielectric plate" (2017) Lombardo, F.C.; Villar, P.I. 8th International Workshop on Decoherence, Information, Complexity and Entropy, DICE 2016. 880(1)
"Fast interaction of atoms with crystal surfaces: Coherent lighting" (2017) Gravielle, M.S.;Bray A.;Kheifets A. (...)Hodgman S. 30th International Conference on Photonic, Electronic, and Atomic Collisions, ICPEAC 2017. 875(2)
"Electron transport in real time from first-principles" (2017) Morzan, U.N.; Ramírez, F.F.; González Lebrero, M.C.; Scherlis, D.A. Journal of Chemical Physics. 146(4)
"Determination of any pure spatial qudits from a minimum number of measurements by phase-stepping interferometry" (2017) Pears Stefano, Q.; Rebón, L.; Ledesma, S.; Iemmi, C. Physical Review A. 96(6)
"Steady-State Fluorescence of Highly Absorbing Samples in Transmission Geometry: A Simplified Quantitative Approach Considering Reabsorption Events" (2017) Krimer, N.I.; Rodrigues, D.; Rodríguez, H.B.; Mirenda, M. Analytical Chemistry. 89(1):640-647
"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
"Entanglement-Enhanced Phase Estimation without Prior Phase Information" (2017) Colangelo, G.;Martin Ciurana, F.;Puentes, G. (...)Sewell, R.J. Physical Review Letters. 118(23)
"Structure of Fukui matrices" (2017) Bochicchio, R.C. International Journal of Quantum Chemistry. 117(22)
"Fundamental limits for cooling of linear quantum refrigerators" (2017) Freitas, N.; Paz, J.P. Physical Review E. 95(1)
"Controlled generation of mixed spatial qudits with arbitrary degree of purity" (2017) Varga, J.J.M.; Ledesma, S.; Iemmi, C.; Rebón, L. Physical Review A. 96(3)
"Scalable Creation of Long-Lived Multipartite Entanglement" (2017) Kaufmann, H.;Ruster, T.;Schmiegelow, C.T. (...)Poschinger, U.G. Physical Review Letters. 119(15)
"Theoretical insights into the reaction and inhibition mechanism of metal-independent retaining glycosyltransferase responsible for mycothiol biosynthesis" (2017) Capurro, J.I.B.;Hopkins, C.W.;Sottile, G.P. (...)Marti, M.A. Journal of Physical Chemistry B. 121(3):471-478
"Theoretical insights into the reaction and inhibition mechanism of metal-independent retaining glycosyltransferase responsible for mycothiol biosynthesis" (2017) Capurro, J.I.B.;Hopkins, C.W.;Sottile, G.P. (...)Marti, M.A. Journal of Physical Chemistry B. 121(3):471-478
"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
"Optimal control of many-body quantum dynamics: Chaos and complexity" (2016) Poggi, P.M.; Wisniacki, D.A. Physical Review A. 94(3)
"Mechanism of the Reaction of Human Manganese Superoxide Dismutase with Peroxynitrite: Nitration of Critical Tyrosine 34" (2016) Demicheli, V.;Moreno, D.M.;Jara, G.E. (...)Radi, R. Biochemistry. 55(24):3403-3417
"Robust bell inequalities from communication complexity" (2016) Laplante, S.;Laurière, M.;Nolin, A. (...)Broadbent A. 11th Conference on the Theory of Quantum Computation, Communication and Cryptography, TQC 2016. 61
"Hairy Lovelock black holes and Stueckelberg mechanism for Weyl symmetry" (2016) Chernicoff, M.;Giribet, G.;Oliva, J. (...)Roig P. 30th Annual Meeting of the Division of Particles and Fields (DPyC) of the Mexican Physical Society and 15th Mexican Workshop on Particles and Fields, MWPF 2015. 761(1)
"Noise-induced transport in the motion of trapped ions" (2016) Cormick, C.; Schmiegelow, C.T. Physical Review A. 94(5)
"Exploring the Catalytic Mechanism of Human Glutamine Synthetase by Computer Simulations" (2016) Issoglio, F.M.;Campolo, N.;Zeida, A. (...)Bartesaghi, S. Biochemistry. 55(42):5907-5916
"Nonclassical effects in the second harmonic generation" (2016) Grinberg, H. Optik. 127(10):4447-4453
"Measuring and using non-Markovianity" (2016) Pineda, C.;Gorin, T.;Davalos, D. (...)García-Mata, I. Physical Review A. 93(2)
"Loschmidt echo and time reversal in complex systems" (2016) Goussev, A.; Jalabert, R.A.; Pastawski, H.M.; Wisniacki, D.A. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences. 374(2069)
"Lyapunov decay in quantum irreversibility" (2016) García-Mata, I.; Roncaglia, A.J.; Wisniacki, D.A. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences. 374(2069)
"Steered Molecular Dynamics Methods Applied to Enzyme Mechanism and Energetics" (2016) Ramírez, C.L.; Martí, M.A.; Roitberg, A.E. Methods in Enzymology. 578:123-143
"Steered Molecular Dynamics Methods Applied to Enzyme Mechanism and Energetics" (2016) Ramírez, C.L.; Martí, M.A.; Roitberg, A.E. Methods in Enzymology. 578:123-143
"Hydrological systems from the Antarctic Peninsula under climate change: James Ross archipelago as study case" (2016) Lecomte, K.L.;A. Vignoni, P.;Córdoba, F.E. (...)Böhnel, H.N. Environmental Earth Sciences. 75(7)
"A quantum-mechanics molecular-mechanics scheme for extended systems" (2016) Hunt, D.; Sanchez, V.M.; Scherlis, D.A. Journal of Physics Condensed Matter. 28(33)
"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
"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
"Preparing arbitrary pure states of spatial qudits with a single phase-only spatial light modulator" (2015) Varga, J.J.M.;Solís-Prosser, A.M.A.;Rebón, L. (...)Salgueiro J.R. 23rd Congress of the International Commission for Optics: Enlightening the Future, ICO 2014. 605(1)
"Quantum manifestations of classical nonlinear resonances" (2015) Wisniacki, D.A.; Schlagheck, P. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 92(6)
"Time-optimal control fields for quantum systems with multiple avoided crossings" (2015) Poggi, P.M.; Lombardo, F.C.; Wisniacki, D.A. Physical Review A - Atomic, Molecular, and Optical Physics. 92(5)
"Optical control of exciton and spin states in a quantum dot by excitation with twisted light" (2015) Kuhn, T.;Reiter, D.E.;Quinteiro, G.F. (...)Martin-Martinez M.J. 19th International Conference on Electron Dynamics in Semiconductors, Optoelectronics and Nanostructures, EDISON 2015. 647(1)
"Correction to the geometric phase by structured environments: The onset of non-Markovian effects" (2015) Lombardo, F.C.; Villar, P.I. Physical Review A - Atomic, Molecular, and Optical Physics. 91(4)
"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
"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
"Planar quantum squeezing in spin-1/2 systems" (2015) Puentes, G. Journal of Physics B: Atomic, Molecular and Optical Physics. 48(24)
"Measuring work and heat in ultracold quantum gases" (2015) De Chiara, G.; Roncaglia, A.J.; Paz, J.P. New Journal of Physics. 17
"Spatiotemporal detection of Kelvin waves in quantum turbulence simulations" (2015) Clark Di Leoni, P.; Mininni, P.D.; Brachet, M.E. Physical Review A. 92(6)
"Efficient calculation of enzyme reaction free energy profiles using a hybrid differential relaxation algorithm: Application to mycobacterial zinc hydrolases" (2015) Romero, J.M.;Martin, M.;Ramirez, C.L. (...)Karabencheva-Christova T. Combined Quantum Mechanical and Molecular Mechanical Modelling of Biomolecular Interactions, 2015. 100:33-65
"Efficient calculation of enzyme reaction free energy profiles using a hybrid differential relaxation algorithm: Application to mycobacterial zinc hydrolases" (2015) Romero, J.M.;Martin, M.;Ramirez, C.L. (...)Karabencheva-Christova T. Combined Quantum Mechanical and Molecular Mechanical Modelling of Biomolecular Interactions, 2015. 100:33-65
"Geometric phase and quantum correlations for a bipartite two-level system" (2015) Lombardo, F.C.;Villar, P.I.;Diosi L. (...)Vitiello G. 7th International Workshop on Decoherence, Information, Complexity and Entropy: Spacetime Matter Quantum Mechanics ... News on Missing Links, DICE 2014. 626(1)
"Relaxation of isolated quantum systems beyond chaos" (2015) García-Mata, I.; Roncaglia, A.J.; Wisniacki, D.A. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 91(1)
"Enhancing quantum coherence with short-range correlated disorder" (2015) Capuzzi, P.; Gattobigio, M.; Vignolo, P. Physical Review A - Atomic, Molecular, and Optical Physics. 92(5)
"The extraordinary catalytic ability of peroxiredoxins: A combined experimental and QM/MM study on the fast thiol oxidation step" (2014) Zeida, A.;Reyes, A.M.;Lebrero, M.C.G. (...)Estrin, D.A. Chemical Communications. 50(70):10070-10073
"The extraordinary catalytic ability of peroxiredoxins: A combined experimental and QM/MM study on the fast thiol oxidation step" (2014) Zeida, A.;Reyes, A.M.;Lebrero, M.C.G. (...)Estrin, D.A. Chemical Communications. 50(70):10070-10073
"A simple grand canonical approach to compute the vapor pressure of bulk and finite size systems" (2014) Factorovich, M.H.; Molinero, V.; Scherlis, D.A. Journal of Chemical Physics. 140(6)
"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
"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
"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
"Electron dynamics in complex environments with real-time time dependent density functional theory in a QM-MM framework" (2014) Morzan, U.N.;Ramírez, F.F.;Oviedo, M.B. (...)Lebrero, M.C.G. Journal of Chemical Physics. 140(16)
"Electron dynamics in complex environments with real-time time dependent density functional theory in a QM-MM framework" (2014) Morzan, U.N.;Ramírez, F.F.;Oviedo, M.B. (...)Lebrero, M.C.G. Journal of Chemical Physics. 140(16)
"Electron dynamics in complex environments with real-time time dependent density functional theory in a QM-MM framework" (2014) Morzan, U.N.;Ramírez, F.F.;Oviedo, M.B. (...)Lebrero, M.C.G. Journal of Chemical Physics. 140(16)
"Quark and gluon spin-2 form factors to two loops in QCD" (2014) De Florian, D.;Mahakhud, M.;Mathews, P. (...)Ravindran, V. 12th International Conference on Loops and Legs in Quantum Field Theory, LL 2014. 2014-January
"The Dalton quantum chemistry program system" (2014) Aidas, K.;Angeli, C.;Bak, K.L. (...)Ågren, H. Wiley Interdisciplinary Reviews: Computational Molecular Science. 4(3):269-284
"QM/MM study of the C-C coupling reaction mechanism of CYP121, an essential Cytochrome p450 of Mycobacterium tuberculosis" (2014) Dumas, V.G.;Defelipe, L.A.;Petruk, A.A. (...)Marti, M.A. Proteins: Structure, Function and Bioinformatics. 82(6):1004-1021
"QM/MM study of the C-C coupling reaction mechanism of CYP121, an essential Cytochrome p450 of Mycobacterium tuberculosis" (2014) Dumas, V.G.;Defelipe, L.A.;Petruk, A.A. (...)Marti, M.A. Proteins: Structure, Function and Bioinformatics. 82(6):1004-1021
"Energy dependence with the number of particles: Density and reduced density matrices functionals" (2014) Miranda-Quintana, R.A.; Bochicchio, R.C. Chemical Physics Letters. 593:35-39
"Nonlinear excitation of polariton cavity modes in ZnO single nanocombs" (2014) Capeluto, M.G.;Grinblat, G.;Tirado, M. (...)Bragas, A.V. Optics Express. 22(5):5341-5349
"Fluorescence enhancement of a fluorescein derivative upon adsorption on cellulose" (2014) Lopez, S.G.;Crovetto, L.;Alvarez-Pez, J.M. (...)San Román, E. Photochemical and Photobiological Sciences. 13(9):1311-1320
"Fluorescence enhancement of a fluorescein derivative upon adsorption on cellulose" (2014) Lopez, S.G.;Crovetto, L.;Alvarez-Pez, J.M. (...)San Román, E. Photochemical and Photobiological Sciences. 13(9):1311-1320
"Selective and efficient quantum state tomography and its application to quantum process tomography" (2013) Bendersky, A.; Paz, J.P. Physical Review A - Atomic, Molecular, and Optical Physics. 87(1)
"Sensitivity to perturbations and quantum phase transitions" (2013) Wisniacki, D.A.; Roncaglia, A.J. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 87(5)
"Sensitivity to perturbations and quantum phase transitions" (2013) Wisniacki, D.A.; Roncaglia, A.J. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 87(5)
"Sensitivity to perturbations and quantum phase transitions" (2013) Wisniacki, D.A.; Roncaglia, A.J. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 87(5)
"Complexity of energy eigenstates as a mechanism for equilibration" (2013) Masanes, L.; Roncaglia, A.J.; Acín, A. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 87(3)
"Communication: Reduced density matrices in molecular systems: Grand-canonical electron states" (2013) Bochicchio, R.C.; Miranda-Quintana, R.A.; Rial, D. Journal of Chemical Physics. 139(19)
"Electronic spectra of the protonated indole chromophore in the gas phase" (2013) Alata, I.;Bert, J.;Broquier, M. (...)Jouvet, C. Journal of Physical Chemistry A. 117(21):4420-4427
"Electronic spectra of the protonated indole chromophore in the gas phase" (2013) Alata, I.;Bert, J.;Broquier, M. (...)Jouvet, C. Journal of Physical Chemistry A. 117(21):4420-4427
"Mechanism of cysteine oxidation by peroxynitrite: An integrated experimental and theoretical study" (2013) Zeida, A.;González Lebrero, M.C.;Radi, R. (...)Estrin, D.A. Archives of Biochemistry and Biophysics. 539(1):81-86
"Simulation of mesogenic diruthenium tetracarboxylates: Development of a force field for coordination polymers of the MMX type" (2013) Castro, M.A.; Roitberg, A.E.; Cukiernik, F.D. Journal of Computational Chemistry. 34(15):1283-1290
"Simulation of mesogenic diruthenium tetracarboxylates: Development of a force field for coordination polymers of the MMX type" (2013) Castro, M.A.; Roitberg, A.E.; Cukiernik, F.D. Journal of Computational Chemistry. 34(15):1283-1290
"Small ligand-globin interactions: Reviewing lessons derived from computer simulation" (2013) Capece, L.;Boechi, L.;Perissinotti, L.L. (...)Estrin, D.A. Biochimica et Biophysica Acta - Proteins and Proteomics. 1834(9):1722-1738
"Small ligand-globin interactions: Reviewing lessons derived from computer simulation" (2013) Capece, L.;Boechi, L.;Perissinotti, L.L. (...)Estrin, D.A. Biochimica et Biophysica Acta - Proteins and Proteomics. 1834(9):1722-1738
"Computational NMR coupling constants: Shifting and scaling factors for evaluating 1JCH" (2013) San Fabián, J.;García De La Vega, J.M.;Suardíaz, R. (...)Contreras, R.H. Magnetic Resonance in Chemistry. 51(12):775-787
"Computational NMR coupling constants: Shifting and scaling factors for evaluating 1JCH" (2013) San Fabián, J.;García De La Vega, J.M.;Suardíaz, R. (...)Contreras, R.H. Magnetic Resonance in Chemistry. 51(12):775-787
"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
"Dynamics and thermodynamics of linear quantum open systems" (2013) Martinez, E.A.; Paz, J.P. Physical Review Letters. 110(13)
"Phase-measurement interferometry as a simulation of optimal quantum-state tomography" (2013) Rebón, L.; Iemmi, C.; Ledesma, S. Optik. 124(22):5548-5552
"The electronic origin of unusually large nJFN coupling constants in some fluoroximes" (2013) Favaro, D.C.; Contreras, R.H.; Tormena, C.F. Magnetic Resonance in Chemistry. 51(6):334-338
"The electronic origin of unusually large nJFN coupling constants in some fluoroximes" (2013) Favaro, D.C.; Contreras, R.H.; Tormena, C.F. Magnetic Resonance in Chemistry. 51(6):334-338
"Classical transients and the support of open quantum maps" (2013) Carlo, G.G.;Wisniacki, D.A.;Ermann, L. (...)Borondo, F. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 87(1)
"Classical transients and the support of open quantum maps" (2013) Carlo, G.G.;Wisniacki, D.A.;Ermann, L. (...)Borondo, F. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 87(1)
"Triplet quantum yields in light-scattering powder samples measured by laser-induced optoacoustic spectroscopy (LIOAS)" (2012) Tomasini, E.P.; Braslavsky, S.E.; San Román, E. Photochemical and Photobiological Sciences. 11(6):1010-1017
"Triplet quantum yields in light-scattering powder samples measured by laser-induced optoacoustic spectroscopy (LIOAS)" (2012) Tomasini, E.P.; Braslavsky, S.E.; San Román, E. Photochemical and Photobiological Sciences. 11(6):1010-1017
"Unexpected geometrical effects on paramagnetic spin-orbit and spin-dipolar 2 J FF couplings" (2012) Ducati, L.C.; Contreras, R.H.; Tormena, C.F. Journal of Physical Chemistry A. 116(20):4930-4933
"Unexpected geometrical effects on paramagnetic spin-orbit and spin-dipolar 2 J FF couplings" (2012) Ducati, L.C.; Contreras, R.H.; Tormena, C.F. Journal of Physical Chemistry A. 116(20):4930-4933
"Note: Energy convexity and density matrices in molecular systems" (2012) Bochicchio, R.C.; Rial, D. Journal of Chemical Physics. 137(22)
"Chaos and complexity in the classical-quantum transition" (2012) Kowalski, A.M.; Mart́in, M.T.; Plastino, A.; Rosso, O.A. International Journal of Applied Mathematics and Statistics. 26(2):67-80
"Photoisomerization of alfa calcidol by a sensitized quantum chain reaction" (2012) Estruch, G.A.; Aramendía, P.F. Photochemistry and Photobiology. 88(4):769-773
"Photoisomerization of alfa calcidol by a sensitized quantum chain reaction" (2012) Estruch, G.A.; Aramendía, P.F. Photochemistry and Photobiology. 88(4):769-773
"Factorization violation in the multiparton collinear limit" (2012) Catani, S.; De Florian, D.; Rodrigo, G. 11th DESY Workshop on Elementary Particle Physics - Loops and Legs in Quantum Field Theory, LL 2012. Part F127172
"Ionization of atoms by ultrashort UV laser pulses - Iterative solution of the time dependent Schrödinger equation" (2012) Borbély, S.; Tökési, K.; Arbó, D.G.; Nagy, L. 27th International Conference on Photonic, Electronic and Atomic Collisions, ICPEAC 2011. 388(PART 3)
"Nuclear magnetic resonance J coupling constant polarizabilities of hydrogen peroxide: A basis set and correlation study" (2012) Kjær, H.;Nielsen, M.R.;Pagola, G.I. (...)Sauer, S.P.A. Journal of Computational Chemistry. 33(23):1845-1853
"Nuclear magnetic resonance J coupling constant polarizabilities of hydrogen peroxide: A basis set and correlation study" (2012) Kjær, H.;Nielsen, M.R.;Pagola, G.I. (...)Sauer, S.P.A. Journal of Computational Chemistry. 33(23):1845-1853
"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
"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
"Poincaré-Birkhoff theorem in quantum mechanics" (2011) Wisniacki, D.A.;Saraceno, M.;Arranz, F.J. (...)Borondo, F. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 84(2)
"Nuclear magnetic resonance shielding constants and chemical shifts in linear 199Hg compounds: A comparison of three relativistic computational methods" (2011) Arcisauskaite, V.; Melo, J.I.; Hemmingsen, L.; Sauer, S.P.A. Journal of Chemical Physics. 135(4)
"Nuclear magnetic resonance shielding constants and chemical shifts in linear 199Hg compounds: A comparison of three relativistic computational methods" (2011) Arcisauskaite, V.; Melo, J.I.; Hemmingsen, L.; Sauer, S.P.A. Journal of Chemical Physics. 135(4)
"Some theoretical questions about the G-particle-hole hypervirial equation" (2011) Valdemoro, C.; Alcoba, D.R.; Tel, L.M.; Paérez-Romero, E. International Journal of Quantum Chemistry. 111(2):245-255
"Surface plasmon polaritons in attenuated total reflection systems with metamaterials: Homogeneous problem" (2011) Zeller, M.; Cuevas, M.; Depine, R.A. Journal of the Optical Society of America B: Optical Physics. 28(8):2042-2047
"Spin-spin indirect interaction at low-energy excitation in zero-dimensional cavities" (2011) Andrade, J.A.; Aligia, A.A.; Quinteiro, G.F. Journal of Physics Condensed Matter. 23(21)
"Orbital and spin dynamics of intraband electrons in quantum rings driven by twisted light" (2011) Quinteiro, G.F.; Tamborenea, P.I.; Berakdar, J. Optics Express. 19(27):26733-26741
"Orbital and spin dynamics of intraband electrons in quantum rings driven by twisted light" (2011) Quinteiro, G.F.; Tamborenea, P.I.; Berakdar, J. Optics Express. 19(27):26733-26741
"Fisher information description of the classicalquantal transition" (2011) Kowalski, A.M.; Martín, M.T.; Plastino, A.; Rosso, O.A. Physica A: Statistical Mechanics and its Applications. 390(12):2435-2441
"1hJFH coupling in 2-fluorophenol revisited: Is intramolecular hydrogen bond responsible for this long-range coupling?" (2011) Cormanich, R.A.;Moreira, M.A.;Freitas, M.P. (...)Tormena, C.F. Magnetic Resonance in Chemistry. 49(12):763-767
"1hJFH coupling in 2-fluorophenol revisited: Is intramolecular hydrogen bond responsible for this long-range coupling?" (2011) Cormanich, R.A.;Moreira, M.A.;Freitas, M.P. (...)Tormena, C.F. Magnetic Resonance in Chemistry. 49(12):763-767
"The Goos-Hänchen effect at the non periodic surface of a negative index metamaterial" (2011) Grünhut, V.; Cuevas, M.; Depine, R.A. Metamaterials: Fundamentals and Applications IV. 8093
"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
"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
"Convergence and computational efficiency enhancements in the iterative solution of the G-particle-hole hypervirial equation" (2011) Alcoba, D.R.; Tel, L.M.; Pérez-Romero, E.; Valdemoro, C. International Journal of Quantum Chemistry. 111(5):937-949
"Dispersive characteristics of surface plasmon polaritons on negative refractive index gratings" (2011) Cuevas, M.; Depine, R.A. Optics Communications. 284(22):5242-5247
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"Adsorption of R-OH molecules on TiO2 surfaces at the solid-liquid interface" (2011) Sánchez, V.M.; De La Llave, E.; Scherlis, D.A. Langmuir. 27(6):2411-2419
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"Domain-averaged Fermi hole and domain-restricted reduced density matrices: A critical comparison" (2011) Alcoba, D.R.; Bochicchio, R.C.; Lain, L.; Torre, A. International Journal of Quantum Chemistry. 111(2):256-262
"Simulating Bell inequality violations with classical optics encoded qubits" (2010) Goldin, M.A.; Francisco, D.; Ledesma, S. Journal of the Optical Society of America B: Optical Physics. 27(4):779-786
"The quantum open systems approach to the dynamical Casimir effect" (2010) Lombardo, F.C.; Mazzitelli, F.D. Physica Scripta. 82(3)
"Results from electrostatic calibrations for measuring the Casimir force in the cylinder-plane geometry" (2010) Wei, Q.;Dalvit, D.A.R.;Lombardo, F.C. (...)Onofrio, R. Physical Review A - Atomic, Molecular, and Optical Physics. 81(5)
"Casimir force between integrable and chaotic pistons" (2010) Álvarez, E.; Mazzitelli, F.D.; Monastra, A.G.; Wisniacki, D.A. Physical Review A - Atomic, Molecular, and Optical Physics. 82(5)
"Difference between 2JC2H3 and 2J C3H2 spin-spin couplings in heterocyclic five- and six-membered rings as a probe for studying σ-ring currents: A quantum chemical analysis" (2010) Contreras, R.H.; Dos Santos, F.P.; Ducati, L.C.; Tormena, C.F. Magnetic Resonance in Chemistry. 48(SUPPL 1):S151-S158
"Difference between 2JC2H3 and 2J C3H2 spin-spin couplings in heterocyclic five- and six-membered rings as a probe for studying σ-ring currents: A quantum chemical analysis" (2010) Contreras, R.H.; Dos Santos, F.P.; Ducati, L.C.; Tormena, C.F. Magnetic Resonance in Chemistry. 48(SUPPL 1):S151-S158
"A surface effect allows HNO/NO discrimination by a cobalt porphyrin bound to gold" (2010) Suárez, S.A.;Fonticelli, M.H.;Rubert, A.A. (...)Doctorovich, F. Inorganic Chemistry. 49(15):6955-6966
"A surface effect allows HNO/NO discrimination by a cobalt porphyrin bound to gold" (2010) Suárez, S.A.;Fonticelli, M.H.;Rubert, A.A. (...)Doctorovich, F. Inorganic Chemistry. 49(15):6955-6966
"The first step of the dioxygenation reaction carried out by tryptophan dioxygenase and indoleamine 2,3-dioxygenase as revealed by quantum mechanical/molecular mechanical studies" (2010) Capece, L.;Lewis-Ballester, A.;Batabyal, D. (...)Marti, M.A. Journal of Biological Inorganic Chemistry. 15(6):811-823
"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
"Extraordinary transmission through arrays of slits: A circuit theory model" (2010) Medina, F.; Mesa, F.; Skigin, D.C. IEEE Transactions on Microwave Theory and Techniques. 58(1):105-115
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"Role of heme distortion on oxygen affinity in heme proteins: The protoglobin case" (2010) Bikiel, D.E.;Forti, F.;Boechi, L. (...)Estrin, D.A. Journal of Physical Chemistry B. 114(25):8536-8543
"Copper-transfer mechanism from the human chaperone Atox1 to a metal-binding domain of wilson disease protein" (2010) Rodriguez-Granillo, A.; Crespo, A.; Estrin, D.A.; Wittung-Stafshede, P. Journal of Physical Chemistry B. 114(10):3698-3706
"Copper-transfer mechanism from the human chaperone Atox1 to a metal-binding domain of wilson disease protein" (2010) Rodriguez-Granillo, A.; Crespo, A.; Estrin, D.A.; Wittung-Stafshede, P. Journal of Physical Chemistry B. 114(10):3698-3706
"Relationships between cumulant and Spin-Density Matrices: Application to the decomposition of Spin" (2010) Torre, A.; Alcoba, D.R.; Lain, L.; Bochicchio, R.C. Journal of Physical Chemistry A. 114(6):2344-2349
"Analysis of canonical molecular orbitals to identify fermi contact coupling pathways. 1. Through-space transmission by overlap of 31P lone Pairs" (2010) Contreras, R.H.;Gotelli, G.;Ducati, L.C. (...)Tormena, C.F. Journal of Physical Chemistry A. 114(2):1044-1051
"Analysis of canonical molecular orbitals to identify fermi contact coupling pathways. 1. Through-space transmission by overlap of 31P lone Pairs" (2010) Contreras, R.H.;Gotelli, G.;Ducati, L.C. (...)Tormena, C.F. Journal of Physical Chemistry A. 114(2):1044-1051
"Pyrromethene derivatives in three-component photoinitiating systems for free radical photopolymerization" (2010) Tarzi, O.I.; Allonas, X.; Ley, C.; Fouassier, J.-P. Journal of Polymer Science, Part A: Polymer Chemistry. 48(12):2594-2603
"CDW-EIS calculations for multiple ionization of Ne, Ar, Kr and Xe by the impact of H+ and He+, including post-collisional electron emission" (2010) Montanari, C.C.; Montenegro, E.C.; Miraglia, J.E. Journal of Physics B: Atomic, Molecular and Optical Physics. 43(16)
"Alternate Cu2 and Er2 spin carriers in a carboxylate-bridged chain: EPR study" (2009) Calvo, R.;Rapp, R.E.;Sartoris, R.P. (...)Perec, M. Journal of Physical Chemistry A. 113(31):8830-8833
"Significant progress in predicting the crystal structures of small organic molecules - A report on the fourth blind test" (2009) Day, G.M.;Cooper, T.G.;Cruz-Cabeza, A.J. (...)Schweizer, B. Acta Crystallographica Section B: Structural Science. 65(2):107-125
"Significant progress in predicting the crystal structures of small organic molecules - A report on the fourth blind test" (2009) Day, G.M.;Cooper, T.G.;Cruz-Cabeza, A.J. (...)Schweizer, B. Acta Crystallographica Section B: Structural Science. 65(2):107-125
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"Comparison of different force fields for the study of disaccharides" (2009) Stortz, C.A.; Johnson, G.P.; French, A.D.; Csonka, G.I. Carbohydrate Research. 344(16):2217-2228
"General theory of measurement with two copies of a quantum state" (2009) Bendersky, A.; Paz, J.P.; Cunha, M.T. Physical Review Letters. 103(4)
"Electric currents induced by twisted light in quantum rings" (2009) Quinteiro, G.F.; Berakdar, J. Optics Express. 17(22):20465-20475
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"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
"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
"How mitogen-activated protein kinases recognize and phosphorylate their targets: A QM/MM study" (2009) Turjanski, A.G.; Hummer, G.; Gutkind, J.S. Journal of the American Chemical Society. 131(17):6141-6148
"How mitogen-activated protein kinases recognize and phosphorylate their targets: A QM/MM study" (2009) Turjanski, A.G.; Hummer, G.; Gutkind, J.S. Journal of the American Chemical Society. 131(17):6141-6148
"Ionization of the H2O molecule by intense ultrashort laser pulses" (2009) Borbély, S.;Tökési, K.;Nagy, L. (...)Gorczyca T.W. 26th International Conference on Photonic, Electronic and Atomic Collisions. 194(3)
"Surface polaritons at a negative index material grating" (2009) Cuevas, M.; Depine, R.A. Metamaterials: Fundamentals and Applications II. 7392
"One- and two-photon excitation of β-carbolines in aqueous solution: ph-dependent spectroscopy, photochemistry, and photophysics" (2009) Micaela Gonzalez, M.;Arnbjerg, J.;Paula Denofrio, M. (...)Cabrerizo, F.M. Journal of Physical Chemistry A. 113(24):6648-6656
"One- and two-photon excitation of β-carbolines in aqueous solution: ph-dependent spectroscopy, photochemistry, and photophysics" (2009) Micaela Gonzalez, M.;Arnbjerg, J.;Paula Denofrio, M. (...)Cabrerizo, F.M. Journal of Physical Chemistry A. 113(24):6648-6656
"Transport through quantum dots: A combined DMRG and embedded-cluster approximation study" (2009) Heidrich-Meisner, F.;Martins, G.B.;Büsser, C.A. (...)Dagotto, E. European Physical Journal B. 67(4):527-542
"Electric quadrupole polarizabilities of nuclear magnetic shielding in some small molecules" (2008) Ferraro, M.B.; Caputo, M.C.; Pagola, G.I.; Lazzeretti, P. Journal of Chemical Physics. 128(4)
"Decoherence induced by a dynamic spin environment: The universal regime" (2008) Cormick, C.; Pablo Paz, J. Physical Review A - Atomic, Molecular, and Optical Physics. 77(2)
"Pitfalls and limitations in the practical use of Förster's theory of resonance energy transfer" (2008) Braslavsky, S.E.;Fron, E.;Rodríguez, H.B. (...)Wirz, J. Photochemical and Photobiological Sciences. 7(12):1444-1448
"On the unusual 2JC2-Hf coupling dependence on syn/anti CHO conformation in 5-X-furan-2-carboxaldehydes" (2008) Pérez, C.;Suardíaz, R.;Ortiz, P.J. (...)Contreras, R.H. Magnetic Resonance in Chemistry. 46(9):846-850
"On the unusual 2JC2-Hf coupling dependence on syn/anti CHO conformation in 5-X-furan-2-carboxaldehydes" (2008) Pérez, C.;Suardíaz, R.;Ortiz, P.J. (...)Contreras, R.H. Magnetic Resonance in Chemistry. 46(9):846-850
"Atomic partition of the optical rotatory power of methylhydroperoxide" (2008) Sánchez, M.;Ferraro, M.B.;Alkorta, I. (...)Sauer, S.P.A. Journal of Chemical Physics. 128(6)
"Atomic partition of the optical rotatory power of methylhydroperoxide" (2008) Sánchez, M.;Ferraro, M.B.;Alkorta, I. (...)Sauer, S.P.A. Journal of Chemical Physics. 128(6)
"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
"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
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"Universal decoherence induced by an environmental quantum phase transition" (2007) Cucchietti, F.M.; Fernandez-Vidal, S.; Paz, J.P. Physical Review A - Atomic, Molecular, and Optical Physics. 75(3)
"(1+1) -dimensional Galilean supersymmetry in ultracold quantum gases" (2007) Lozano, G.S.; Piguet, O.; Schaposnik, F.A.; Sourrouille, L. Physical Review A - Atomic, Molecular, and Optical Physics. 75(2)
"Signatures of nonlocality in the first-order coherence of scattered light" (2007) Cañizares, P.;Görler, T.;Paz, J.P. (...)Schleich, W. Laser Physics. 17(7):903-907
"Variation principle for a linear potential" (2007) Casaubon, J.I.; Cosentino, J.P.; Buep, A.H. Turkish Journal of Physics. 31(3):117-121
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"A natural normalization for the eigenstates of a Hamiltonian with continuous spectrum" (2007) Murgida, G.; Castagnino, M. Physica A: Statistical Mechanics and its Applications. 381(1-2):170-188
"Effect of temperature and bias voltage on the conductance distribution of 1D-disordered wires with dirty contacts" (2007) Foieri, F.; José Sánchez, M.; Arrachea, L.; Gopar, V. Physica B: Condensed Matter. 398(2):376-379
"Geometric phases in open systems: A model to study how they are corrected by decoherence" (2006) Lombardo, F.C.; Villar, P.I. Physical Review A - Atomic, Molecular, and Optical Physics. 74(4)
"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
"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
"Classicality in discrete Wigner functions" (2006) Cormick, C.;Galvão, E.F.;Gottesman, D. (...)Pittenger, A.O. Physical Review A - Atomic, Molecular, and Optical Physics. 73(1)
"Imaging molecular interactions in living cells by FRET microscopy" (2006) Jares-Erijman, E.A.; Jovin, T.M. Current Opinion in Chemical Biology. 10(5):409-416
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"Decoherence induced by a chaotic enviroment: A quantum walker with a complex coin" (2006) Ermann, L.; Paz, J.P.; Saraceno, M. Physical Review A - Atomic, Molecular, and Optical Physics. 73(1)
"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
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"Simulating a quantum walk with classical optics" (2006) Francisco, D.; Iemmi, C.; Paz, J.P.; Ledesma, S. Physical Review A - Atomic, Molecular, and Optical Physics. 74(5)
"Quantum-to-classical transition in a system with mixed classical dynamics" (2006) Toscano, F.; Wisniacki, D.A. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 74(5)
"Approaching field tuned quantum criticality in CeIn3 - x Snx" (2006) Silhanek, A.V.;Zocco, D.;Harrison, N. (...)Ebihara, T. Physica B: Condensed Matter. 378-380(SPEC ISS):90-91
"Generalized quantum baker maps as perturbations of a simple kernel" (2006) Ermann, L.; Saraceno, M. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 74(4)
"Scarring by homoclinic and heteroclinic orbits" (2006) Wisniacki, D.A.; Vergini, E.; Benito, R.M.; Borondo, F. Physical Review Letters. 97(9)
"Modeling heme proteins using atomistic simulations" (2006) Bikiel, D.E.;Boechi, L.;Capece, L. (...)Estrin, D.A. Physical Chemistry Chemical Physics. 8(48):5611-5628
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"Positronium ionization by short UV laser pulses: Splitting of the ATI peaks by Rabi oscillations" (2006) Rodríguez, V.D. Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms. 247(1 SPEC ISS):105-110
"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
"An orbital localization criterion based on the theory of "fuzzy" atoms" (2006) Alcoba, D.R.; Lain, L.; Torre, A.; Bochicchio, R.C. Journal of Computational Chemistry. 27(5):596-608
"An orbital localization criterion based on the theory of "fuzzy" atoms" (2006) Alcoba, D.R.; Lain, L.; Torre, A.; Bochicchio, R.C. Journal of Computational Chemistry. 27(5):596-608
"Exact Casimir interaction between eccentric cylinders" (2006) Dalvit, D.A.R.; Lombardo, F.C.; Mazzitelli, F.D.; Onofrio, R. Physical Review A - Atomic, Molecular, and Optical Physics. 74(2)
"Sum rules for invariance of the fourth-rank hypermagnetisability in a gauge translation" (2005) Pagola, G.I.; Caputo, M.C.; Ferraro, M.B.; Lazzeretti, P. Chemical Physics Letters. 408(4-6):403-408
"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
"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
"Correlated holes and their relationships with reduced density matrices and cumulants" (2005) Bochicchio, R.C.; Torre, A.; Lain, L. Journal of Chemical Physics. 122(8)
"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
"Vortices in two-component Bose-Einstein condensates" (2005) Jezek, D.M.; Capuzzi, P. Journal of Physics B: Atomic, Molecular and Optical Physics. 38(24):4389-4398
"Vortex states in fermi-bose mixtures" (2005) Guilleumas, M.;Jezek, D.M.;Barranco, M. (...)Pi, M. Laser Physics. 15(2):395-400
"Solvent effects on peroxynitrite structure and properties from QM/MM simulations" (2005) Lebrero, M.C.G.; Perissinotti, L.L.; Estrin, D.A. Journal of Physical Chemistry A. 109(42):9598-9604
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"Qubits in phase space: Wigner-function approach to quantum-error correction and the mean-king problem" (2005) Paz, J.P.; Roncaglia, A.J.; Saraceno, M. Physical Review A - Atomic, Molecular, and Optical Physics. 72(1)
"Hertz potentials approach to the dynamical Casimir effect in cylindrical cavities of arbitrary section" (2005) Crocce, M.; Dalvit, D.A.R.; Lombardo, F.C.; Mazzitelli, F.D. Journal of Optics B: Quantum and Semiclassical Optics. 7(3):S32-S39
"The photorelease of nitrogen monoxide (NO) from pentacyanonitrosyl coordination compounds of group 8 metals" (2005) Videla, M.; Braslavsky, S.E.; Olabe, J.A. Photochemical and Photobiological Sciences. 4(1):75-82
"Comparative performance of MM3(92) and two Tinker™ MM3 versions for the modeling of carbohydrates" (2005) Stortz, C.A. Journal of Computational Chemistry. 26(5):471-483
"Electronic states at the water/air interface" (2005) Rodriguez, J.; Laria, D. Journal of Physical Chemistry B. 109(14):6473-6478
"Quantum kinetic theory of a Bose-Einstein gas confined in a lattice" (2005) Rey, A.M.; Hu, B.L.; Calzetta, E.; Clark, C.W. Physical Review A - Atomic, Molecular, and Optical Physics. 72(2)
"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
"Theoretical study of the truncated hemoglobin HbN: Exploring the molecular basis of the NO detoxification mechanism" (2005) Crespo, A.;Martí, M.A.;Kalko, S.G. (...)Estrin, D.A. Journal of the American Chemical Society. 127(12):4433-4444
"Theoretical study of the truncated hemoglobin HbN: Exploring the molecular basis of the NO detoxification mechanism" (2005) Crespo, A.;Martí, M.A.;Kalko, S.G. (...)Estrin, D.A. Journal of the American Chemical Society. 127(12):4433-4444
"Theoretical study of the truncated hemoglobin HbN: Exploring the molecular basis of the NO detoxification mechanism" (2005) Crespo, A.;Martí, M.A.;Kalko, S.G. (...)Estrin, D.A. Journal of the American Chemical Society. 127(12):4433-4444
"Treatments of non-nuclear attractors within the theory of atoms in molecules" (2005) Alcoba, D.R.; Lain, L.; Torre, A.; Bochicchio, R.C. Chemical Physics Letters. 407(4-6):379-383
"Modeling ring puckering in strained systems: Application to 3,6-anhydroglycosides" (2005) Navarro, D.A.; Stortz, C.A. Carbohydrate Research. 340(12):2030-2038
"Signatures of homoclinic motion in quantum chaos" (2005) Wisniacki, D.A.; Vergini, E.; Benito, R.M.; Borondo, F. Physical Review Letters. 94(5)
"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
"Homoclinic motions in the vibrational spectra of floppy systems: The LiCN molecule" (2005) Borondo, F.;Vergini, E.;Wisniacki, D.A. (...)Benito, R.M. Journal of Chemical Physics. 122(11)
"Irreversibility with quantum trajectories" (2005) Wisniacki, D.A.; Borondo, F.; Benito, R.M. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 72(4)
"Evidence of two-channel distortion effects in positronium formation reactions" (2004) Macri, P.A.;Miraglia, J.E.;Hanssen, J. (...)Rivarola, R.D. Journal of Physics B: Atomic, Molecular and Optical Physics. 37(6):L111-L119
"Photochromic fluorescence resonance energy transfer (pcFRET): Formalism, implementation, and perspectives" (2004) Jares-Erijman, E.A.;Giordano, L.;Spagnuolo, C. (...)Jovin, T.M. Progress in Biomedical Optics and Imaging - Multiphoton Microscopy in the Biomedical Sciences IV. 5323:13-26
"Studies of population analysis at the correlated level: Determination of three-center bond indices" (2004) Lain, L.; Torre, A.; Bochicchio, R. Journal of Physical Chemistry A. 108(18):4132-4137
"Optical simulation of quantum algorithms using programmable liquid-crystal displays" (2004) Puentes, G.;La Mela, C.;Ledesma, S. (...)Saraceno, M. Physical Review A - Atomic, Molecular, and Optical Physics. 69(4):042319-1-042319-5
"Effect of dipolar interaction on the antiferromagnetic resonance spectra of NiO" (2004) Milano, J.; Steren, L.B.; Grimsditch, M. Physical Review Letters. 93(7):077601-1-077601-4
"Wetting of spherical surfaces by quantum fluids" (2004) Hernández, E.S.; Cole, M.W.; Boninsegni, M. Journal of Low Temperature Physics. 134(1-2):309-314
"Memory effects in classical and quantum mean-field disordered models" (2004) Cugliandolo, L.F.; Lozano, G.; Lozza, H. European Physical Journal B. 41(1):87-96
"Perturbative generation of a strange-quark asymmetry in the nucleon" (2004) Catani, S.; De Florian, D.; Rodrigo, G.; Vogelsang, W. Physical Review Letters. 93(15):152003-1-152003-4
"dc response of a dissipative driven mesoscopic ring" (2004) Arrachea, L. Physical Review B - Condensed Matter and Materials Physics. 70(15):155407-1-155407-10
"Magnetic-field-induced critical behavior in the hidden-order compound URu2Si2" (2004) Jaime, M.;Kim, K.H.;Harrison, N. (...)Valenzuela Monjar R. Proceedings of the VI Latin American Workshop on Magnetism. 369(1-2):33-35
"Grazing ion-surface collisions" (2004) Gravielle, M.S. XXIII International Conference on Photonic, Electronic, and Atomic Collisions, 23rd ICPEAC. T110:398-402
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