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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)
"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)
"Contrary quantum histories and contrary inferences" (2018) Losada, M. Physica A: Statistical Mechanics and its Applications. 503:379-389
"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)
"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)
"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
"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)
"Finite-temperature effects in helical quantum turbulence" (2018) Clark Di Leoni, P.; Mininni, P.D.; Brachet, M.E. Physical Review A. 97(4)
"Distinguishing computable mixtures of quantum states" (2018) Grande, I.H.L.;Senno, G.;De La Torre, G. (...)Acín, A. Physical Review A. 97(5)
"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)
"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)
"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)
"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)
"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
"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)
"Entanglement-Enhanced Phase Estimation without Prior Phase Information" (2017) Colangelo, G.;Martin Ciurana, F.;Puentes, G. (...)Sewell, R.J. Physical Review Letters. 118(23)
"Fundamental limits for cooling of linear quantum refrigerators" (2017) Freitas, N.; Paz, J.P. Physical Review E. 95(1)
"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-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)
"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
"Scalable Creation of Long-Lived Multipartite Entanglement" (2017) Kaufmann, H.;Ruster, T.;Schmiegelow, C.T. (...)Poschinger, U.G. Physical Review Letters. 119(15)
"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)
"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
"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)
"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
"Structure of Fukui matrices" (2017) Bochicchio, R.C. International Journal of Quantum Chemistry. 117(22)
"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
"Optimal control of many-body quantum dynamics: Chaos and complexity" (2016) Poggi, P.M.; Wisniacki, D.A. Physical Review A. 94(3)
"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)
"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
"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
"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
"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)
"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)
"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)
"Measuring and using non-Markovianity" (2016) Pineda, C.;Gorin, T.;Davalos, D. (...)García-Mata, I. Physical Review A. 93(2)
"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)
"Nonclassical effects in the second harmonic generation" (2016) Grinberg, H. Optik. 127(10):4447-4453
"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
"Noise-induced transport in the motion of trapped ions" (2016) Cormick, C.; Schmiegelow, C.T. Physical Review A. 94(5)
"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
"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)
"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
"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)
"Quantum manifestations of classical nonlinear resonances" (2015) Wisniacki, D.A.; Schlagheck, P. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 92(6)
"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)
"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)
"Planar quantum squeezing in spin-1/2 systems" (2015) Puentes, G. Journal of Physics B: Atomic, Molecular and Optical Physics. 48(24)
"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)
"Measuring work and heat in ultracold quantum gases" (2015) De Chiara, G.; Roncaglia, A.J.; Paz, J.P. New Journal of Physics. 17
"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
"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)
"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)
"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
"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
"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
"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
"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
"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
"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 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)
"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
"Phase-measurement interferometry as a simulation of optimal quantum-state tomography" (2013) Rebón, L.; Iemmi, C.; Ledesma, S. Optik. 124(22):5548-5552
"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
"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)
"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
"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
"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)
"Dynamics and thermodynamics of linear quantum open systems" (2013) Martinez, E.A.; Paz, J.P. Physical Review Letters. 110(13)
"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)
"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
"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
"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)
"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)
"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
"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
"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)
"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
"Note: Energy convexity and density matrices in molecular systems" (2012) Bochicchio, R.C.; Rial, D. Journal of Chemical Physics. 137(22)
"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
"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
"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
"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
"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
"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)
"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
"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
"Irreversibility in quantum maps with decoherence" (2011) García-Mata, I.; Casabone, B.; Wisniacki, D.A. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences. 369(1935):278-290
"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)
"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
"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
"Dispersive characteristics of surface plasmon polaritons on negative refractive index gratings" (2011) Cuevas, M.; Depine, R.A. Optics Communications. 284(22):5242-5247
"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
"Fermionic cosmologies" (2011) Chimento, L.P.;Devecchi, F.P.;Forte, M. (...)Samojeden, L.L. Journal of Physics: Conference Series. 306(1)
"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
"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
"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)
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"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
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"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
"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
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"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
"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
"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
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"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
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"Vortex states in fermi-bose mixtures" (2005) Guilleumas, M.;Jezek, D.M.;Barranco, M. (...)Pi, M. Laser Physics. 15(2):395-400
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