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Calculations
83
"Photoelectron holography of atomic targets" (2019) Borbély, S.;Tóth, A.;Arbó, D.G. (...)Nagy, L. Physical Review A. 99(1)
"Rhombohedral R3c to orthorhombic Pnma phase transition induced by Y-doping in BiFeO3" (2018) Graf, M.;Di Napoli, S.;Barral, M.A. (...)Llois, A.M. Journal of Physics Condensed Matter. 30(28)
"Ecient type checking for path polymorphism" (2018) Edi, J.;Viso, A.;Bonelli, E. (...)European Regional Development Fund 21st International Conference on Types for Proofs and Programs, TYPES 2015. 69:61-623
"One-Dimensional Confinement Inhibits Water Dissociation in Carbon Nanotubes" (2018) Sirkin, Y.A.P.; Hassanali, A.; Scherlis, D.A. Journal of Physical Chemistry Letters. 9(17):5029-5033
"Factoring Derivation Spaces via Intersection Types" (2018) Barenbaum, P.; Ciruelos, G.; Ryu S. 16th Asian Symposium on Programming Languages and Systems, APLAS 2018. 11275 LNCS:24-44
"Adsorption of Ne on a planar solid Mg surface revisited" (2018) Szybisz, L.; Sartarelli, S.A.; Urrutia, I. Journal of Physics and Chemistry of Solids. 121:386-395
"Role of weak C—H…O and strong N—H…O inter­molecular inter­actions on the high-symmetry mol­ecular packing of trans-cyclo­hexane-1,4-dicarboxamide" (2018) Garcí-Reyes, F.;Fantoni, A.C.;Barón, M. (...)Echeverrí, G.A. Acta Crystallographica Section C: Structural Chemistry. 74(10):1068-1078
"Confluence in Probabilistic Rewriting" (2018) Díaz-Caro, A.; Martínez, G. Electronic Notes in Theoretical Computer Science. 338:115-131
"Ionization probabilities of Ne, Ar, Kr, and Xe by proton impact for different initial states and impact energies" (2017) Montanari, C.C.; Miraglia, J.E. Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms. 407:236-243
"Photodissociation Electronic Spectra of Cold Protonated Quinoline and Isoquinoline in the Gas Phase" (2017) Féraud, G.;Domenianni, L.;Marceca, E. (...)Jouvet, C. Journal of Physical Chemistry A. 121(13):2580-2587
"A dynamic look on molecular symmetry" (2017) Barón, M.; Bain, A.D.; Conde, R.S. Canadian Journal of Chemistry. 95(7):736-743
"A dynamic look on molecular symmetry" (2017) Barón, M.; Bain, A.D.; Conde, R.S. Canadian Journal of Chemistry. 95(7):736-743
"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)
"On abstract normalisation beyond neededness" (2017) Bonelli, E.; Kesner, D.; Lombardi, C.; Ríos, A. Theoretical Computer Science. 672:36-63
"The first-order hypothetical logic of proofs" (2017) Steren, G.; Bonelli, E. Journal of Logic and Computation. 27(4):1023-1066
"Kondo behavior and conductance through 3d impurities in gold chains doped with oxygen" (2017) Barral, M.A.;Di Napoli, S.;Blesio, G. (...)Aligia, A.A. Journal of Chemical Physics. 146(9)
"Tuning the electronic properties at the surface of BaBiO3 thin films" (2016) Ferreyra, C.;Guller, F.;Marchini, F. (...)Rubi, D. AIP Advances. 6(6)
"Aromatic nucleophilic substitution in aprotic solvents using hydrogen-bonded biological amines. Kinetic studies and quantum chemical calculations" (2016) Alvaro, C.E.S.;Bergero, F.D.;Bolcic, F.M. (...)Sbarbati Nudelman, N. Journal of Physical Organic Chemistry. 29(11):565-573
"Nonconstant ponderomotive energy in above-threshold ionization by intense short laser pulses" (2016) Della Picca, R.;Gramajo, A.A.;Garibotti, C.R. (...)Arbó, D.G. Physical Review A. 93(2)
"A formal analysis of the global sequence protocol" (2016) Melgratti, H.; Roldán, C.; Lafuente A.L.; Proenca J. 18th IFIP WG 6.1 International Conference on Coordination Models and Languages, COORDINATION 2016 and Held as Part of the 11th International Federated Conference on Distributed Computing Techniques, DisCoTec 2016. 9686:175-191
"Sturmian bases for two-electron systems in hyperspherical coordinates" (2016) Abdouraman, A.;Frapiccini, A.L.;Hamido, A. (...)Piraux, B. Journal of Physics B: Atomic, Molecular and Optical Physics. 49(23)
"Type Soundness for Path Polymorphism" (2016) Viso, A.; Bonelli, E.; Ayala-Rincón, M. Electronic Notes in Theoretical Computer Science. 323:235-251
"On the stability of the electronic system in transition metal dichalcogenides" (2016) Faraggi, M.N.; Zubizarreta, X.; Arnau, A.; Silkin, V.M. Journal of Physics Condensed Matter. 28(18)
"Lukasiewicz public announcement logic" (2016) Cabrer, L.;Rivieccio, U.;Rodriguez, R.O. (...)Yager R.R. 16th International Conference on Information Processing and Management of Uncertainty in Knowledge-Based Systems, IPMU 2016. 611:108-122
"CJoin: Join with communicating transactions" (2015) Bruni, R.; Melgratti, H.; Montanari, U. Mathematical Structures in Computer Science. 25(3):566-618
"Crystal structure prediction from first principles: The crystal structures of glycine" (2015) Lund, A.M.;Pagola, G.I.;Orendt, A.M. (...)Facelli, J.C. Chemical Physics Letters. 626:20-24
"Double ionization of helium by proton impact: A generalized-Sturmian approach" (2015) Ambrosio, M.J.;Mitnik, D.M.;Ancarani, L.U. (...)Gaggioli, E.L. Physical Review A. 92(4)
"A normal form for stateful connectors" (2015) Bruni, R.;Melgratti, H.;Montanari, U. (...)Marti-Oliet N. Conference on Logic, Rewriting and Concurrency dedicated to Jose Meseguer on the Occasion of his 65th Birthday, 2015. 9200:205-227
"Categorical foundations for structured specifications in Z" (2015) Castro, P.F.; Aguirre, N.; Pombo, C.L.; Maibaum, T.S.E. Formal Aspects of Computing. 27(5-6):831-865
"Modeling ferro- and antiferromagnetic interactions in metal-organic coordination networks" (2015) Faraggi, M.N.;Golovach, V.N.;Stepanow, S. (...)Arnau, A. Journal of Physical Chemistry C. 119(1):547-555
"Mechanism for electron emission and exciton formation during collisions of neutral hydrogens with a LiF(001) surface" (2014) Miraglia, J.E. Physical Review A - Atomic, Molecular, and Optical Physics. 90(6)
"From hierarchical BIP to Petri calculus" (2014) Bruni, R.; Melgratti, H.; Montanari, U. Workshop ""From Programs to Systems - The Systems Perspective in Computing"", FPS 2014. 8415 LNCS:54-68
"Dynamite: A tool for the verification of alloy models based on PVS" (2014) Moscato, M.M.; Lopez Pombo, C.G.; Frias, M.F. ACM Transactions on Software Engineering and Methodology. 23(2)
"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
"Ab initio potential for the He-Ag(110) interaction investigated using grazing-incidence fast-atom diffraction" (2013) Rubiano, C.A.R.;Bocan, G.A.;Gravielle, M.S. (...)Roncin, P. Physical Review A - Atomic, Molecular, and Optical Physics. 87(1)
"S-model calculations for high-energy-electron-impact double ionization of helium" (2013) Gasaneo, G.;Mitnik, D.M.;Randazzo, J.M. (...)Colavecchia, F.D. Physical Review A - Atomic, Molecular, and Optical Physics. 87(4)
"Mechanism to generate a two-dimensional electron gas at the surface of the charge-ordered semiconductor BaBiO3" (2013) Vildosola, V.; Güller, F.; Llois, A.M. Physical Review Letters. 110(20)
"Satisfiability calculus: The semantic counterpart of a proof calculus in general logics" (2013) Lopez Pombo, C.G.; Castro, P.F.; Aguirre, N.M.; Maibaum, T.S.E. 21st International Workshop on Algebraic Development Techniques, WADT 2012. 7841 LNCS:195-211
"Strain induced anisotropy change in ultrathin Fe films grown on MnAs(110)/GaAs(001)" (2013) Helman, C.; Llois, A.M. IEEE Transactions on Magnetics. 49(8):4675-4678
"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
"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
"Resolution with order and selection for hybrid logics" (2011) Areces, C.; Gorín, D. Journal of Automated Reasoning. 46(1):1-42
"Geometry distortion of the benzene molecule in a strong magnetic field" (2011) Caputo, M.C.; Lazzeretti, P. International Journal of Quantum Chemistry. 111(4):772-779
"Complete calculi for structured specifications in fork algebra" (2010) Lopez Pombo, C.G.; Frias, M.F. 7th International Colloquium on Theoretical Aspects of Computing, ICTAC 2010. 6255 LNCS:290-305
"Role of the charge-transfer state in the electronic absorption of protonated hydrocarbon molecules" (2010) Alata, I.;Dedonder, C.;Broquier, M. (...)Jouvet, C. Journal of the American Chemical Society. 132(49):17483-17489
"The -λ Calculus with constructors: Syntax, confluence and separation" (2009) Arbiser, A.; Miquel, A.; Ros, A. Journal of Functional Programming. 19(5):581-631
"The expansion problem in lambda calculi with explicit substitution" (2008) Arbiser, A. Journal of Logic and Computation. 18(6):849-883
"Multiparty sessions in SOC" (2008) Bruni, R.; Lanese, I.; Melgratti, H.; Tuosto, E. 10th International Conference on Coordination Models and Languages, COORDINATION 2008. 5052 LNCS:67-82
"Alloy Analyzer+PVS in the analysis and verification of Alloy specifications" (2007) Frias, M.F.; Lopez Pombo, C.G.; Moscato, M.M. 13th International Conference on Tools and Algorithms for the Construction and Analysis of Systems, (TACAS 2007). 4424 LNCS:587-601
"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
"Modeling of the solidification process in a continuous casting installation for steel slabs" (2003) Gonzalez, M.;Goldschmit, M.B.;Assanelli, A.P. (...)Dvorkin, E.N. Metallurgical and Materials Transactions B: Process Metallurgy and Materials Processing Science. 34(4):455-473
"Casimir interaction between two concentric cylinders: Exact versus semiclassical results" (2003) Mazzitelli, F.D.; Sánchez, M.J.; Scoccola, N.N.; Von Stecher, J. Physical Review A - Atomic, Molecular, and Optical Physics. 67(1):013807-1-013807-11
"6,19-carbon-bridged steroids. Synthesis of 6,19-methano-progesterone" (2003) Joselevich, M.; Ghini, A.A.; Burton, G. Organic and Biomolecular Chemistry. 1(6):939-943
"On the theoretical determination of the static dipole polarizability of intermediate size silicon clusters" (2002) Bazterra, V.E.; Caputo, M.C.; Ferraro, M.B.; Fuentealba, P. Journal of Chemical Physics. 117(24):11158-11165
"Structure and spin-state energetics of an iron porphyrin model: An assessment of theoretical methods" (2002) Scherlis, D.A.; Estrin, D.A. International Journal of Quantum Chemistry. 87(3):158-166
"Disaccharide conformational maps: 3D contours or 2D plots?" (2002) Stortz, C.A.; Cerezo, A.S. Carbohydrate Research. 337(20):1861-1871
"Computing radial packing properties from the distribution of particle centers" (2001) Mariani, N.J.; Martínez, O.M.; Barreto, G.F. Chemical Engineering Science. 56(20):5693-5707
"Synchronized hyperedge replacement with name mobility: A graphical calculus for mobile systems" (2001) Hirsch, D.; Montanari, U.; Nielsen M.; Larsen K.G. 12th International Conference on Concurrency Theory, CONCUR 2001. 2154:121-136
"From higher-order to first-order rewriting" (2001) Bonelli, E.; Kesner, D.; Ríos, A. 12th International Conference on Rewriting Techniques and Applications, RTA 2001. 2051 LNCS:47-62
"From higher-order to first-order rewriting" (2001) Bonelli, E.; Kesner, D.; Ríos, A. 12th International Conference on Rewriting Techniques and Applications, RTA 2001. 2051 LNCS:47-62
"Photophysical properties of supported dyes. Quantum yield calculations in scattering media" (2001) Amore, S.; Lagorio, M.G.; Dicelio, L.E.; San Román, E. Progress in Reaction Kinetics and Mechanism. 26(2-3):159-177
"Reconfiguration of software architecture styles with name mobility" (2000) Hirsch, D.;Inverardi, P.;Montanari, U. (...)Roman G.-C. 4th International Conference on Coordination Languages and Models, COORDINATION 2000. 1906:148-163
"Using fields and explicit substitutions to implement objects and functions in a de Bruijn setting" (1999) Bonelli, E.; Rodriguez-Artalejo M.; Flum J. 13th International Workshop on Computer Science Logic, CSL 1999 and held as International Workshops on Computer Science Logic, EACSL 1999. 1683:204-219
"Generalized power expansions in cosmology" (1998) Jakubi, A.S. Computer Physics Communications. 115(2-3):284-299
"Modeling NMR chemical shifts: A comparison of charge models for solid state effects on 15 N chemical shift tensors" (1998) Ferraro, M.B.; Repetto, V.; Facelli, J.C. Solid State Nuclear Magnetic Resonance. 10(4):185-189
"Momentum distributions of ionization products in ion-atom collisions" (1997) Rodríguez, V.D. Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms. 132(2):250-258
"Three-dimensional analytical infinite order sudden quantum theory for triatomic indirect photodissociation processes" (1997) Grinberg, H.; Freed, K.F.; Williams, C.J. Journal of Chemical Physics. 107(6):1835-1848
"Collisions between multiply charged ions: The He2+-C3+ case" (1997) Opradolce, L.; McCarroll, R.; Piacentini, R.D. Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms. 132(2):302-305
"Heats and entropies of sorption of cereal grains : A comparison between integral and differential quantities" (1997) Tolaba, M.P.; Suárez, C.; Viollaz, P. Drying Technology. 15(1):137-150
"Statistical analysis of heterogeneities and their effect on build-up and drawdown tests" (1996) Savioli, G.B.; Bidner, M.S.; Jacovkis, P.M. Journal of Petroleum Science and Engineering. 15(1):45-55
"Global analysis of unmatched polarized fluorescence decay curves of systems exhibiting a residual anisotropy at long times" (1996) Dutt, G.B.;Ameloot, M.;Bernik, D. (...)De Schryver, F.C. Journal of Physical Chemistry. 100(23):9751-9761
"Adaptive stabilization of time-varying discrete-time linear systems" (1996) Troparevsky, M.I. Automatica. 32(1):129-131
"Solids mixing in gas-liquid-solid fluidized beds: Experiments and modelling" (1996) Cassanello, M.; Larachi, F.; Guy, C.; Chaouki, J. Chemical Engineering Science. 51(10):2011-2020
"Study of ferromagnetic properties of molecular magnets based on aminonaphthalenesulfonic acid and aniline" (1996) Soriano, M.R.; Tsobnang, F.; Le Méhauté, A.; Wimmer, E. Synthetic Metals. 76(1-3):317-321
"Surface electromagnetic waves at the interface with anisotropic media" (1995) Simon, J.M.; Presa, V.A. Journal of Modern Optics. 42(11):2201-2211
"Stationarity of the EEG Series" (1995) Blanco, S.;Garcia, H.;Quiroga, R.Q. (...)Rosso, O.A. IEEE Engineering in Medicine and Biology Magazine. 14(4):395-399
"Hysteretical temperature dependence of AC susceptibility in granular high-Tc superconductors" (1994) Bekeris, V.;Ferrari, H.;Acha, C. (...)Leyva, G. Physica C: Superconductivity and its applications. 234(1-2):49-56
"Total and differential cross section calculations in Li3++ Li single-electron capture collisions" (1994) Opradolce, L.;Faicon, C.;Casaubon, J.I. (...)Piacerttini, R.D. Journal of Physics B: Atomic, Molecular and Optical Physics. 27(10):2033-2038
"Zener relaxation strength in b.c.c. and f.c.c. alloys" (1994) Povolo, F.; Mosca, H.O. Journal of Alloys and Compounds. 211-212(C):522-524