Articles

Publications

Publications 2021

ACOSTA CODEN, D.S.; GÓMEZ, S.S.; FERRÓN, A.; OSENDA, O. Controlled quantum state transfer in XX spin chains at the Quantum Speed Limit. Physics Letters A; 2021 vol. 387. [+]

AUCAR, I. A.; BORSCHEVSKY, A. Relativistic study of parity-violating nuclear spin-rotation tensors. Journal Of Chemical Physics; New York; 2021 vol. 155. [+]

AUCAR, J. J.; MALDONADO, A. F.; MELO, J. I. Relativistic corrections of the electric field gradient in dihalogen molecules XY (X, Y = F, Cl, Br, I, At) within the linear response elimination of the small component formalism. International Journal of Quantum Chemistry; New York; 2021 vol. 121. [+]

BAJAC, D. F. E.; AUCAR, I. A; AUCAR, G. A. Absolute NMR shielding scales in methyl halides obtained from experimental and calculated nuclear spin-rotation constants. Physical Review A; 2021 vol. 104. [+]

CAPUTO, M. C.; PROVASI, P. F. Theoretical Investigation of Glycine Micro-Solvated. Energy and NMR Spin Spin Coupling Constants Calculations. Sci; Lugar: Basel; 2021 vol. 3 p. 41 – 52. doi: 10.20944/preprints202108.0546.v1

CHAMORRO, Y.; FLÓREZ, E.; MALDONADO, A.; AUCAR, G.; RESTREPO, A. Microsolvation of heavy halides. International Journal of Quantum Chemistry; vol. 121-7. [+]

CARRANO, R. S. GALEANO; PROVASI P.F.; FERRARO, M. B.; ALKORTA, I.; ELGUERO, J.; SAUER, S. P. A. A Density Functional Theory Study of Optical Rotation in some Aziridine and Oxirane derivatives. Chemphyschem; 2021. [+]

CONSOLI, N. C.; SCHEUERMANN FILHO, H. C.; LEON, H. B.; DA SILVA CARRETTA, M.; CORTE, M. B.; CORDEIRO, R. E.; CABALLERO, R. D.; LOURENÇO, D. E. General relationships controlling loss of mass, stiffness and strength of sustainable binders amended sand. Transportation Geotechnics; 2021 vol. 27. DOI 10.1016/j.trgeo.2020.100473

DEGHI, S E; FERNÁNDEZ-ALCÁZAR, L. J; PASTAWSKI, H. M.; BUSTOS-MARÚN, R. A. Current-induced forces in single-resonance systems. Journal Of Physics Condensed Matter; 2021 vol. 33 p. 175303 – 175320. https://iopscience.iop.org/article/10.1088/1361-648X/abe266

EVENSEN, G.; AMEZCUA, J.; BOCQUET, M.; CARRASSI, A.; FARCHI, A.; FOWLER, A.; HOUTEKAMER, P.L.; JONES, C. K.; MORAES, R. J. de; PULIDO, M.; SAMPSON, C.; and VOSSEPOEL, F. C. An international assessment of the COVID-19 pandemic using ensemble data assimilation. Foundations of Data Science. (2021). [+]

FERNÁNDEZ-ALCÁZAR, L. J.; KONONCHUK, R.; KOTTOS, T. Enhanced energy harvesting near exceptional points in systems with (pseudo-) PT-symmetry. Communications Physics; 2021 vol. 4.

FERNÁNDEZ-ALCÁZAR, L. J.; KONONCHUK, R.; LI, H.; KOTTOS, T. Extreme Nonreciprocal Near-Field Thermal Radiation via Floquet Photonics. Physical Review Letters; 2021 vol. 126.

FERNÁNDEZ-ALCÁZAR, L. J; LI, H.; NAFARI, M.; KOTTOS, T. Implementation of Optimal Thermal Radiation Pumps Using Adiabatically Modulated Photonic Cavities. ACS Photonics; Washington DC; 2021 vol. 8 p. 2973 – 2979. [+]

LUCINI, M.; VANLEEUWEN; PULIDO, M. Model Error Estimation using the Expectation Maximization Algorithm and a Particle Flow Filter. SIAM/ASA Journal of Uncertainty Quantification; Philadelfia; 2021 vol. 9 p. 681 – 707. [+]

LUQUE, L. Linear Differential Equations of Fractional Order with Recurrence Relationship. Progress in Fractional Differentiation and Applications; New York; 2021 vol. 1 p. 1 – 21.

PAGOLA, G. I.; FERRARO, M. B.; PROVASI, P. F.; PELLONI, S.; LAZZERETTI, P. Physi al achirality in geometrically hiral rotamers of hydrazine and boranylborane molecules. Journal of Computational Chemistry; New York; 2021. doi: 10.1002/jcc.26709.

REVIGLIO, A. L.; MARTÍNEZ, F. A.; MONTERO, M. D. A.; GARRO-LINCK, Y.; AUCAR, G. A.; SPERANDEO, N. R.; MONTI, G. A. Accurate location of hydrogen atoms in hydrogen bonds of tizoxanide from the combination of experimental and theoretical models. RSC Advances; 2021 vol. 11 p. 7644 – 7652 . [+]

RODAS, C.; PULIDO, M. Gravity Wave Focusing on the Antarctic Polar Vortex Using Gaussian Beam Approximation in Horizontally Nonuniform Flows. Journal of The Atmospheric Sciences; 2021 vol. 78 p. 3837 – 3853. [+]

RUS, M. E; PONCE, C. A; ROMERO, R. H.; GÓMEZ, S.S. Fast manipulation of a single electron along a quantum dot chain. Journal Of Physics B-Atomic Molecular And Optical Physics; 2021 vol. 54. https://iopscience.iop.org/article/10.1088/1361-6455/ac1560

SANTOS NETO, A. P.; RIVELINO, R.; PAGOLA, G. I.; PROVASI, P. F. High-Level Electron Correlation of the Indirect Nuclear Spin-Spin Coupling Constants in Some Small Diboranes and Lithium-Doped Diboranes. ChemSelect; Lugar: Weinheim; Año: 2021 vol. 6 p. 5451 – 5465 [+]

TUXBURY, W.; FERNÁNDEZ-ALCAZAR, L.J.; VITEBSKIY, I.; KOTTOS, T. Scaling theory of absorption in the frozen mode regime. Optics Letters; 2021 vol. 46 p. 3053 – 3056. https://doi.org/10.1364/OL.425060

VELZAQUEZ, A.; CHAMORRO, Y.; MALDONADO, A. F.; AUCAR, G. A.; RESTREPO, A. Microsolvation of Sr2+, Ba2+: Structures, energies, bonding, and nuclear magnetic shieldings. International Journal of Quantum Chemistry; New York; 2021 vol. 121.

Publications 2020

ARISMENDY PABÓN, A. M.; FELISSIA, F ; MENDIETA, C.; CHAMORRO, E.; AREA, M. C. . Improvement of bioethanol production from rice husks. Cellulose chemistry and technology. Rumania: Editura ACAD
Romane, 2020 – . vol. 54, p. 689-698. ISSN 0576-9787 [+]

ACOSTA CODEN, D.S.; GÓMEZ, S.S.; FERRÓN, A.; OSENDA, O.; ACOSTA CODEN, D.S.; GÓMEZ, S.S.; FERRÓN, A.;
OSENDA, O. . Controlled quantum state transfer in XX spin chains at the Quantum Speed Limit. Physics letters a. :
ELSEVIER SCIENCE BV, 2020 – . vol. 387, ISSN 0375-9601 [+]

BUFFA, BRUNO ADOLFO; KNOPOFF, DAMIÁN; TORRES, GERMÁN . Parameter Estimation and Measurement of Social
Inequality in a Kinetic Model for Wealth Distribution. Mathematics. , Basel: MDPI, 2020 – . vol. 8, n° 5. [+]

CACERES, L; VELASCO, G.; ZAMBON, S; CHAMORRO, E. . Uso de emulsiones pickering en la reacción de
obtención de terpineol a partir de aceite de pomelo. Revista tecnología y ciencia. , CABA: UTN, 2020 – . vol. 37,
p. 24-39. ISSN 1666-6933. [+]

COCUCCI, T.J.; PULIDO, M.; LUCINI, M. and TANDEO, P.. Model error covariance estimation in particle and ensemble Kalman filters using an online expectation-maximization algorithm. Q. J. Roy. Met. Soc. (2020) [+]

DAGNINO, E. P.; CHIAPPERO, L. R.; NICOLAU, V. V.; CHAMORRO, R. E.. Separation process optimisation and characterisaton of lignin from blackccarob tree sawdust into a biorefinery. Chemical Engineering Research and Design. 155:66-79 (2020). [+]

FERNÁNDEZ-ALCÁZAR, L. J.; LI, H.; ELLIS, F.; ALÚ, A.; KOTTOS, T.. Robust Scattered Fields from Adiabatically Driven Targets around Exceptional Points. Physical review letters. : AMER PHYSICAL SOC, 2020 – . vol. 124, n° 13, ISSN 0031-9007. [+]

GESTER, R. M.; GALEANO CARRANO, R. S.; PROVASI, P. F.; BISTAFA, C.; CANUTO, S. Theoretical analysis of the influence of C-H…O bonds on the NMR constants of uracil in DMSO. Theoretical chemistry accounts. , Berlin: SPRINGER, 2020 – . vol. 139, p. 155-165. ISSN 1432-881X [+]

LOREDO-SOUZA, A. M.; ROCHA, M. M.; WITTWER, A. R.; OLIVEIRA, M. O. Modelagem de edifícios altos em túnel de vento. Revista do ibracon – instituto brasileiro do concreto. IBRACON – instituto brasileiro do concreto, 2020 – ISSN 1415-224X [+]

MELO, J. I.; MALDONADO, A. F.; AUCAR, G. A.; Performance of the LRESC Model on top of DFT Functionals for Relativistic NMR Shielding Calculations; American Chemical Society; Journal of Chemical Information and Modeling; 60; 2; 2-2020; 722-730 [+]

MICHELLOD, A. M. M.; PILA, A. N.; PROFETA, M. I.; GIMENEZ, L. I.; JORGE, M. J.; JORGE; JORGE, L. C.; M J. ROMERO; JORGE, NELLY L. Models Sorption of Cyhalofop-Butyl, on Mesopotamic Agricultural Soils. Chemistry research journal. Rajasthan: Leon Publications, 2020 – . vol. 5, p. 54-61. ISSN 2455-8990. [+]

MILLAN, L.A.; GIRIBET, C. G.; AUCAR, G.A. On the quantum origin of few response properties. J Chem Phys. 2020 Dec 14;153(22):221101. [+]

MROGINSKI J. L.; CASTRO G. H.; PODESTA J. M.; BENEYTO, P. A.; ANONIS, R. A. A fully coupled particle method for dynamic analysis of saturated soil. Computational particle mechanics. : Springer Science and Business Media Deutschland GmbH, 2020 – . ISSN 2196-4378. [+]

PRADOLINI, G.; RAMOS, W.; RECCHI, J.. On the optimal numerical parameters related with two weighted estimates for commutators of classical operators and extrapolation results. Collectanea mathematica. , Barcelona: UNIV BARCELONA, 2020 – . vol. 72, n° 1, p. 229-259. ISSN 0010-0757. [+]

RAMOS, A. Y.; FERNANDEZ, L. J.; KOTTOS, T. and SHAPIRO, B. Optical phase transitions in photonic networks: a spin-system formulation. American Physical Society; Physical Review X; 10; 3; 7-2020. [+]

ROSSI CABRAL, N.; PODESTÁ, J. M.; BRE, F.; MÉNDEZ, C. G.; HUESPE, A. E.; A microarchitecture design methodology to achieve extreme isotropic elastic properties of composites based on crystal symmetries. Structural and multidisciplinary optimization. : SPRINGER, 2020 – . ISSN 1615-147X [+]

SANTA CRUZ, T.; AUCAR, G. A. On the invariance of polarization propagators at SOPPA level of approach under unitary transformations of MOs. Chemical Physics Letters. V. 761: 138027 (2020). ISSN 0009-2614. [+]

SAUE, TROND; BAST, RADOVAN; GOMES, ANDRÉ SEVERO PEREIRA; JENSEN, HANS JØRGEN AA.; VISSCHER, LUCAS; AUCAR, IGNACIO AGUSTÍN; DI REMIGIO, ROBERTO; DYALL, KENNETH G.; ELIAV, EPHRAIM; FASSHAUER, ELKE; FLEIG, TIMO; HALBERT, LOÏC; HEDEGÅRD, ERIK DONOVAN; HELMICH-PARIS, BENJAMIN; ILIAS, MIROSLAV; JACOB, CHRISTOPH R.; KNECHT, STEFAN; LAERDAHL, JON K.; VIDAL, MARTA L.; NAYAK, MALAYA K.; OLEJNICZAK, MALGORZATA; OLSEN, JÓGVAN MAGNUS HAUGAARD; PERNPOINTNER, MARKUS; SENJEAN, BRUNO; SHEE, AVIJIT; SUNAGA, AYAKI; VAN STRALEN, JOOST N. P. . The DIRAC code for relativistic molecular calculations. Journal of chemical physics. , New York: AMER INST PHYSICS, 2020 – . vol. 152, n° 20, p. 204104-204104. ISSN 0021-9606. [+]

TANDEO, P.; AILLIOT, P.; BOCQUET, M.; CARRASSI, A.; MIYOSHI, T.; PULIDO, M.; ZHEN, Y. A Review of Innovation-Based Methods to Jointly Estimate Model and Observation Error Covariance Matrices in Ensemble Data Assimilation. Mon. Wea. Rev., 148, 3973–3994, 10-2020 [+]

Publications 2019

ACOSTA CODEN, D. S.; GOMEZ, S. S.; ROMERO, R. H.; OSENDA, O. and FERRON, A. Fast optical control of a coded qubit in a triple quantum dot. IOP Publishing; Physica Scripta; 94; 2; 2-2019; 1-10. [+]

ARISMENDY A. M.; VILLA RETREPO, A. F.; ALCARAZ, W.; CHAMORRO, E. R. Optimización de la hidrólisis enzimática de la cascarilla de arroz. RECyT 21 (32) pp. 64-70. 2019.

AUCAR, G. A.; MALDONADO, A. F.; MONTERO, M. D. A.; SANTA CRUZ, T. Theoretical developments and applications of polarization propagators. International Journal of Quantum Chemistry; 2019. vol. 119. [+]

BONGIOANNI, BRUNO; CABRAL, ENRIQUE ADRIÁN; HARBUORE, ELEONOR . Regularity of maximal functionsassociated to a critical radius function. Revista de la unión matemática argentina. , Bahia Blanca: UNIONMATEMATICA ARGENTINA, 2019 – . vol. 60, n° 2, p. 539-566. ISSN 0041-6932 [+]

BORDON, A. G.; PILA, A. N.; PROFETA, M. I.; JORGE, M. J.; JORGE, L. C.; ROMERO, J. M.; JORGE, N. L. Thermal Decomposition of Diphenyl Tetroxane in Chlorobenzene Solution International Journal of Organic Chemistry; Año: 2019. vol. 09 p. 1 – 9 [+]

BORDÓN, A. G.; PILA, A. N.; PROFETA, M. I.; ROMERO, J. M.; JORGE, L. C.; JORGE, N. L.; SAINZ-DÍAZ, C. I.; GRAND, A.; HERNÁNDEZ-LAGUNA, A. Theoretical study of the gas-phase thermolysis reaction of 3,6-dimethyl-1,2,4,5-tetroxane. Methyl and axial-equatorial substitution effects Journal of Molecular Modeling – (Print); Año: 2019 vol. 25 [+]

COSTAMAGNA, D.; CUFFIA, F.; AUDERO, G.; PERALTA, G. H.; RUBEL, I. A.; VALENZUELA LÓPEZ, J. A.; KARLEN, J.; PILATTI, L.; SIGNORINI, M.; NUÑEZ, M.; VASEK, O.M. Evaluación de riesgos de Quesos Artesanales Bovinos. Grupo Ad Hoc Quesos Artesanales. Red de Seguridad Alimentaria CONICET. 2019, 1-51. ISSN 2618-2785 [+]

FERRON, A.; RODRIGUEZ, S. A.; GOMEZ, S. S.; LADO, J. L. and FERNANDEZ-ROSSIER, J. Single spin resonance driven by electric modulation of the g-factor anisotropy. Physical Review Research. 2019. [+]

GOMEZ, S. S.; ROMERO, R. H. Superadiabatic spin-preserving control of a single-spin qubit in a double quantum dot with spin–orbit interaction. Journal of Physics B: Atomic, Molecular and Optical Physics. 2019. [+]

HAASE, P. A. B.; FABER, R.; PROVASI, P. F.; SAUER, S. P. A. Noniterative Doubles Corrections to the Random Phase and Higher Random Phase Approximations: Singlet and Triplet Excitation Energies. Journal of computational chemistry. Vol 41 pp. 43-43. 2019. [+]

KOZIOL, K.; AUCAR, I. A.; AUCAR, G. A. Relativistic and QED effects on NMR magnetic shielding constant of neutral and ionized atoms and diatomic molecules. Journal of Chemical Physics; New York; 2019 vol. 150.[+]

LOREDO-SOUZA, A. M.; LIMA, E. G.; VALLIS, M. B.; ROCHA, M. M.; WITTWER, A. R.; OLIVEIRA, M. G. K. Downburst related damages in Brazilian buildings: Are they avoidable?. Journal of Wind Engineering and Industrial Aerodynamics. Vol 185, pp. 33-40. 2019

LUSK, M: T.; MARK SIEMENS, M. and QUINTEIRO, G. F. Large centroid shifts of vortex beams reflected from multi-layers. DOI: 10.1088/2040-8986/aaf318, 2018, 21 (1). [+]

MELCHIORI, L.; PRADOLINI, G.; RAMOS, W. Commutators of potential type operators with Lipschitz symbols on variable Lebesgue spaces with different weights. Mathematical inequalities & applications. 2019 vol. 22 p. 855 – 883. [+]

MELO, J. I.; MALDONADO, A. F. Relativistic corrections to the electric field gradient given by linear response elimination of the small component formalism. Quantum Chemistry. Vol. 119, 15. 2019 [+]

MENDEZ, CARLOS GUSTAVO; PODESTA, JUAN MANUEL; TORO, SEBASTIAN; HUESPE, ALFREDO; OLIVER, XAVIER . Making use of symmetries in the three-dimensional elastic inverse homogenization problem. International journal formultiscale c omputational engineering. : BEGELL HOUSE INC, 2019 – . vol. 17, n° 3, p. 261-280. ISSN 1543-1649 [+]

MONTERO, M. D. A.; MARTÍNEZ, F. A.; AUCAR, G. A. Magnetic descriptors of hydrogen bonds in malonaldehyde and its derivatives. Physical Chemistry Chemical Physics. 2019. [+]

PAGOLA, G. I.; FERRARO, M. B.; PROVASI, P. F.; PELLONI, S.; LAZZERETTI, P. Could Electronic Anapolar Interactions Drive Enantioselective Syntheses in Strongly Nonuniform Magnetic Fields? A Computational Study. Journal of Chemical Theory and Computation; Washington; 2019.[+]

PODESTÁ, J.M.; MÉNDEZ, C.; TORO, S.; HUESPE, A.E. . Symmetry considerations for topology design in the elasticinverse homogenization problem. Journal of the mechanics and physics of solids. : PERGAMON-ELSEVIER SCIENCELTD, 2019 – . vol. 128, p. 54-78. ISSN 0022-5096 [+]

PULIDO, M. A.; VANLEEUWEN, P. J.; POSSELT, D. J. Kernel Embedded Nonlinear Observational Mappings in the Variational Mapping Particle Filter. Lecture Notes in Computer Science; 2019 vol 1153 p. 141-155.

PULIDO, M. A.; VANLEEUWEN, P. J. Sequential Monte Carlo with kernel embedded mappings: The mapping particle filter. Journal of Computational Physics. 2019. [+]

QUINTEIRO, G.F.; SCHMIEGELOW, C.T.; REITER, D.E.; KUHN, T. Reexamination of Bessel beams: A generalized scheme to derive optical vortices. Physical Review A. Vol. 99. 2019. ISSN 2469-9926

RAMOS, ALBA; CORMICK, CECILIA . Feasibility of the ion-trap simulation of a class of non-equilibrium phasetransitions. European physical journal d. : SPRINGER, 2019 – . vol. 73, n° 11, ISSN 1434-6060

SCHEFFLER, G.; RUIZ, J.; PULIDO, M. A. Inference of stochastic parametrizations for model error treatment using nested ensemble Kalman filters. Quarterly Journal of the Meteorological Society. 2019. [+]

SEQUEIRA, A., CHAMORRO, E., & AUCAR, G. Avances en el Estudio Cinético de la Transesterificación de Aceite Crudo de Algodón. AJEA, (4). 2019. https://doi.org/10.33414/ajea.4.403.2019.

UBERTI, B.; VALDEZ, L. A.; CARAVACA, M. L.; Thermoelastic and mechanical properties in diamond, c-BN, c-SiC, TiO 2 , TiO 1.85 and w-ZnO; Springer; Applied Physics A: Materials Science and Processing; 125; 11; 11-2019; 1-10. [+]

VALDEZ, L. A.; CARAVACA, M. L.; CASALLI, R. A. Ab-initio study of elastic anisotropy, hardness and volumetric thermal expansion coefficient of ZnO, ZnS, ZnSe in wurtzite and zinc blende phases. Pergamon-Elsevier Science Ltd; Journal of Physics and Chemistry of Solids; 134; 11-2019; 245-254. [+]

VALENZUELA, J.A.; FLÓREZ, A. B.; VÁZQUEZ, L.; VASEK, O.; MAYO, B.. Production of γ-aminobutyric acid (GABA) by lactic acid bacteria strains isolated from traditional, starter-free dairy products made of raw milk. 2019. Beneficial Microbes. 10(5):579-587. Wageningen Academic Publishers, Wageningen, Países Bajos. ISSN: 1876-2883 – e-ISSN: 1876-2891. [+]

YANG, K.; PAUL, W.; NATTERER, F. D.; LADO, J. L.; BAE, Y.; WILLKE, P.; CHOI, T.; FERRON, A.; FERNANDEZ ROSSIER, J.; HEINRICH, A. J.; LUTZ, C. P. Tuning the Exchange Bias on a Single Atom from 1 mT to 10 T. Physical Review Letters. 2019. [+]

YANG, K.; WILLKE, P.; BAE, Y.; FERRON, A.; LADO, J.; ARDAVAN, A.; FERNANDEZ-ROSSIER, J.; HEINRICH, A. J.; LUTZ, C. P. Single-atom nuclear magnetic resonance (NMR) using scanning tunneling microscopy. 2019.

ZAPATA ESCOBAR, A. D.; MURILLO LÓPEZ, J. A.; HADAD, C. Z.; RESTREPO COSSIO, A. A.; Understanding the nature of bonding interactions in the carbonic acid dimers; Springer; Journal of Molecular Modeling; 25; 20; 1-2019; 1-10 [+]

Publications 2018

ACEVEDO GOMEZ, A. V.; GOMEZ, G.; CHAMORRO, E.; BUSTILLO, S.; LEIVA, L. C. Digestive aspartic proteases from sábalo (prochilodus lineatus): characterization and application for collagen extraction. Food Chemistry 269:610-617 (2018). [+]

AUCAR, G. A.; MELO, J. I.; AUCAR, I. A.; MALDONADO, A. F. Foundations of the LRESC model for response properties and some applications. Intenational Journal of Quantum Chemistry. 2018 vol 118.[+]

AUCAR, I. A.; GIMENEZ, C. A.; AUCAR, G. A. Influence of the nuclear charge distribution and electron correlation effects on magnetics shieldings and spin-rotation tensors of linear molecules. RSC Advances 8 (36), 20234-20249. [+]

BORDÓN, A.G.; PILA, A. N.; PROFETA, M. I.; JORGE, M. J.; JORGE, L. C.; ROMERO, J. M.; JORGE, N. L. Thermal Decomposition of 3,6-Diphenyl-1,2,4,5-Tetroxane in Nitromethane Solution; Khalsa Publications; Journal of Advances in Chemistry; 15; 2; 12-2018; 6306-6310. [+]

CABRAL, E. A.; MARTIN REYES, F. J. Sharp bound for the ergodic maximal operator associated to Cesàro bounded operators. Journal of mathematical analysis and applications. Academic press inc Elsevier Science. vol. 462 p. 648–648. ISSN 0022-247X. 2018. [+]

CÁCERES, L. M.; ZAMBÓN, S. N.; VELASCO, G. A.; CHAMORRO, E. R. Efecto del solvente en la reacción de obtención de a-terpineol a partir de aceite de pomelo.Revista Tecnología y Ciencia, Universidad Tecnológica Nacional. 31:30-37 (2018). http://frre.utn.edu.ar/quimobi/clean/files/get/item/9887

CAPUTO, M. C.; PROVASI, P. F.; SAUER, S. P. A. The role of explicit solvent molecules in the calculation of NMR chemical shifts of glycine in water. Theoretical Chemistry Accounts; Munich; 2018 vol. 137 p. 88 – 96. [+]

CHAUDHURI, P.; CANUTO, S.; PROVASI, P.F. NMR spin–spin coupling constants in hydrogen‐bonded glycine clusters. Int J Quantum Chem. 2018. [+]

DAGNINO, E. P.; FELISSIA, F. E.; CHAMORRO, E. R.; AREA, M. C. Studies on lignin extraction from rice husk by a soda-ethanol treatment: kinetics, separation, and characterization of products. Chemical Engineering Research and Design. 129: 209-216 (2018). [+]

DAGNINO, E. P.; RUIZ, C.; CHAMORRO, E. R . Ensayos preliminares de deslignificación de aserrín de algarrobo negro, en vistas a la producción eficiente de azúcares fermentables. Revista Averma. 22(6):61-66 (2018). http://frre.utn.edu.ar/quimobi/clean/files/get/item/9890

DE AZEVEDO, S.; GONZÁLEZ, M. F.; CINTAS, C.; RAMALLO, V.; QUINTO-SÁNCHEZ, M.; MÁRQUEZ, F.; HÜNEMEIER, T.; PASCHETTA, C.; RUDERMAN, A.; NAVARRO, P.; PAZOS, B. A.; SILVA DE CERQUEIRA, C. C.; VELAN, O.; RAMÍREZ-ROZZI, F.; CALVO, N.; CASTRO, H. G.; PAZ, R. R.; GONZÁLEZ-JOSÉ, R. Covariation patterns and respiratory simulation in modern human and Neanderthal noses. American journal of physical anthropology; New York; 2018 vol. 165 p. 62 – 62

DE AZEVEDO, S.; GONZÁLEZ, M. F.; CINTAS, C.; RAMALLO, V.; QUINTO-SÁNCHEZ, M.; MÁRQUEZ, F.; HÜNEMEIER, T.; PASCHETTA, C.; RUDERMAN, A.; NAVARRO, P.; PAZOS, B. A.; SILVA DE CERQUEIRA, C. C.; VELAN, O.; RAMÍREZ-ROZZI, F.; CALVO, N.; CASTRO, H. G.; PAZ, R. R.; GONZÁLEZ-JOSÉ, R. Reply to Evteev and Heuzé: How to overcome the problem of modeling respiration departing from bony structures. Proceedings of the national academy of sciences of the United States of America; Washington DC, USA; 2018. [+]

DEGRAZIA, G. A.; BODMANN, B.; WITTWER, A. R.; DORADO, R.; DEGRAZIA, F.; DEMARCO, G.; ROBERTI, D. R.; LOREDO-SOUZA, A. M.; ACEVEDO, O. C.; MARTINS, L. G. Wind Tunnel Experiments with Neutral and Convective Boundary Layer Stabilities. American journal of enveriomental engineering. Rosemead: Scientific & Academic Publishing, 2018. vol. 8, nº 4, 9. 154-158. ISSN 2166-4633. [+]

KOZIOL, K.; GIMENEZ, C. A.; AUCAR, G. A. Breit corrections to individual atomic and molecular orbital energies. 2018. The Journal of chemical physics, 148 (4) 044113. https://doi.org/10.1063/1.5017986. [+]

KOZIOL, K.; AUCAR, G. A. QED effects on individual atomic orbital energies. 2018. The Journal of chemical physics, 148 (13) 134101. https://doi.org/10.1063/1.5026193. [+]

KNOPOFF, D. A.; TORRES, G. A. On an optimal control strategy in a kinetic social dynamics model. Communications in Applied and Industrial Mathematics. The Gruyter. ISSN 2038-0909. 2018. [+]

MILLAN, L.; GIRIBET, C.; AUCAR, G. A. Polarization propagator’s theory and the entanglement between MO excitations. Phys. Chem. Chem. Phys, DOI: 10.1039/C8CP03480J, 2018, 20, 24832 – 24842. [+]

MORALES, W. G.; LUQUE, N. R.; SEQUEIRA, A.; CHAMORRO, E. Estudio de las variables de reacción de la transesterificación asistida por microondas Revista Tecnología y Ciencia, Universidad Tecnológica Nacional. 31:38-46. 2018. http://frre.utn.edu.ar/quimobi/clean/files/get/item/9888

MROGINSKI, J. L.; CASTRO, H.G. A metaheuristic optimization algorithm for multimodal benchmark function in a GPU architecture. Communications in Advanced Mathematical Sciences; 2018. [+]

PULIDO, M,; TANDEO, P.; BOCQUET, M.; CARRASI, A. and LUCINI, M. Stochastic parameterization identification using ensemble Kalman filtering combined with maximum likelihood methods. Tellus A: Dynamic Meteorology and Oceanography; 2018. 70. [+]

PULIDO M. and VANLEEWEN, P. J. Kernel embedding of maps for Bayesian inference: The variational mapping particle filter. Submitted. 2018. https://arxiv.org/pdf/1805.11380

SCHEFFLER G.; PULIDO M. AND RODAS, C. The Role of Gravity Wave Drag Optimization in the Splitting of the Antarctic Vortex in the 2002 Sudden Stratospheric Warming.Geophysical Research Letters. 2018. doi 10.1029/2018GL077993. [+]

SCHNACK-PETERSEN, A. K.; HAASE, P. B.; FABER, R.; PROVASI, P. F.; SAUER, S. P. A.; RPA(D) and HRPA(D): Two new models for calculations of NMR indirect nuclear spin-spin coupling constants. Journal of computational chemistry; New York; 2018 vol. 39 p. 2647 – 2666. [+]

SIN, C. S.; BRITOS, M.; ORTEGA, S. M.; VASEK, O. M.; Reactivacion de Lactobacillus spp. aislados de saliva y alimentos; Universidad Nacional del Nordeste. Facultad de Odontología; Revista de la Facultad de Odontología; 10; 1; 6-2018; 7-11. [+]

SUÁREZ, A. L.; MALDONADO, A. F. La educación cts en argentina y su inclusión en el currículo de la educación secundaria obligatoria. Boletim da AIA-CTS. Universidade de Aveiro. Vol. 7 p. 19-19. ISSN 2183-5098. Aveiro. 2018. [+]

WILLKE, P.; BAE, Y.; YANG, K.; LADO, J. L.; FERRÓN, A.; CHOI, T.; ARDAVAN, A.; FERNÁNDEZ-ROSSIER, J.; HEINRICH, A. J.; LUTZ, C. P. Hyperfine interaction of individual atoms on a surface science; 2018 vol. 362 p. 336 – 339. [+]

WITTWER, A. R.; DORADO, R.; LOREDO-SOUZA, A. M.; BODMANN, B.; DEGRAZIA, G. A.; BONES, A.; CAPELLER, B.; CONTINI, A. Fluctuating velocity measurements in the turbulent wake of a wind turbine model. American Journal of environmental engineering. Rosemead: Scientific & Academic Publishing, 2018. vol. 8, nº 4, p. 105-111. ISSN 2166-4633 [+]

WITTWER, A. R.; LOREDO-SOUZA, A. M.; OLIVEIRA, M. K.; FISCH, G.; DE SOUZA, B.; GOULART, E.; Study of gas turbulent dispersion process in the Alcântara Launch Center. Journal of aerospace technology and mangement: ABEC-Associҫᾶo Brasileira de Editores Científicos, 2018. vol. 10, ISSN 2175-9416. [+]

WITTWER, A. R.; DORADO, R.; LOREDO-SOUZA, A. M.; BONES, A.; CAPELLER, B.; CONTINI, A.; BODMANN, B.; DEGRAZIA, G. A. Características da esteira turbulenta do modelo de um aerogerador. Ciência e natura, Santa Maria: UFSM, 2018. vol. 40, p. 155-161. ISSN 0100-8307.

WITTWER, A. R.; LOREDO-SOUZA, A. M.; CAMAÑO SCHETTINI, E. B.; CASTRO, H. G. Wind tunnel study of plume dispersion with varying source emission configurations. Wind and structures; 2018 vol. 27 p. 417 – 430. [+]

YANG, K.; WILLKE, P.; BAE, Y.; FERRÓN, A.; LADO, J. L.; ARDAVAN, A.; FERNÁNDEZ-ROSSIER, J.; HEINRICH, A. J.; LUTZ, C. P. Electrically controlled nuclear polarization of individual atoms. Nature nanotechnology; 2018 vol. 13 p. 1120 – 1125. [+]

Publications 2017

ACOSTA CODEN, D. S.; ROMERO, R. H.; FERRÓN, A. and GOMEZ, S. S. 2017: Optimal control of a charge qubit in a double quantum dot with a Coulomb impurity. Physica E: Low-dimensional Systems and Nanostructures 86, 36. [+]

ARISMENDY, A. M.; SEQUEIRA, M. J.; FELISSIA, F. E.; AREA, M. C.; CHAMORRO, E. R. 2017. Evaluación de cepas fermentativas en la hidrólisis y fermentación simultáneas (SSF) de cascarilla de arroz para la producción de bioetanol. Revista Tecnología y Ciencia, Universidad Tecnológica Nacional. 30:357-363.

AUCAR, G. A.; MELO, J. I.; AUCAR, I. A.; MALDONADO, A. F. 2017: Foundations of the LRESC model for response properties and some applications. International Journal of Quantum Chemistry; V. 118. Nº 1; p131-162, DOI:10.1002/qua.25487. [+]

BORDÓN, A.G.; PILA, A. N.; PROFETA, M. I.; JORGE, M. J.; ROMERO, J. M.; JORGE, N. L.; MICHELLOD, A. M.; Sorption and Desorption of Cyhalofop-Butyl on Mesopotamic Agricultural Soils; Wiley Blackwell Publishing, Inc; Chemistry Select; 2; 4; 2-2017; 1658-1662. [+]

BRITOS, M. R.; SIN, C. S.; VASEK, O. M.; ORTEGA, S. M.; Diagnóstico molecular de Porphyromona gingivalis: estandarización del método; Círculo Argentino de Odontología; Revista del Círculo Argentino de Odontología; 75; 225; 11-2017; 15-18. [+]

BRITOS, M. R.; SIN, C. S.; ORTEGA, S. M.; VASEK, O. M.; Diseño y estandarización de la técnica de PCR para porphyromona gingivalis; Universidad Nacional del Nordeste; Revistas de la Facultad de Odontología; 10; 1; 11-2017; 25-31. [+]

BRITOS, M.; SIN,C.; ORTEGA, S. Porphyromona gingivalis, patogeno de relevancia en la enfermedad periodontal. Revista de la Fundacion Juan Jose Carraro. 2017.p.46-49. ISSN 1514-9765. [+]

CASTRO, H. G.; PAZ, R. R.; MROGINSKI, J. L.; STORTI, M. A. 2017: Evaluation of the proper coherence representation in random flow generation based methods. Journal of Wind Engineering & Industrial Aerodynamics, p211-227. DOI: 10.1016/j.jweia.2017.06.009. [+]

CUELLO, M. C.; GORI, J. I.; MOHEIMANI, N. R.; CHAMORRO, E. R. 2017. Producción de compuestos orgánicos de valor comercial a partir de la biomasa microalgal de Scenedesmus dimorphus. Revista Tecnología y Ciencia, Universidad Tecnológica Nacional. 30:281-289.

DAGNINO E. P.; FELISSIA, F. E.; CHAMORRO, E. R.; AREA, M. C. 2017. Optimization of the soda-ethanol delignification stage for a rice husk biorefinery. Industrial Crops and Products. 97:156-165. [+]

DAGNINO E. P.; FELISSIA, F. E.; CHAMORRO, E. R.; AREA, M. C. Studies on lignin extraction from rice husk by a soda-ethanol treatment: kinetics, separation, and characterization of products; Institution of Chemical Engineers; Chemical Engineering Research & Design; 129; 10-2017; 209-216. [+]

DE AZEVEDO, S.; GONZÁLEZ, M. F.; CINTAS, C.; RAMALLO, V.; QUINTO-SÁNCHEZ, M.; MÁRQUEZ, F.; HÜNEMEIER, T.; PASCHETTA, C.; RUDERMAN, A.; NAVARRO, P.; PAZOS, B. A.; SILVA DE CERQUEIRA, C. C; VELAN, O.; RAMÍREZ-ROZZI, F.; CALVO, N.; CASTRO, H. G.; PAZ, R. R.; GONZÁLEZ JOSÉ, R. 2017. Nasal airflow simulations suggest convergent adaptation in Neanderthals and modern humans. Proceedings of the national academy of sciences of the United States of America, vol. 114 p.12442- 2442. [+]

DREANO, D.; TANDEO, P.; PULIDO, M.; AIT-EL-FQUIH, B.; CHONAVEL, T. and HOTEIT, I. 2017: Estimation of error covariances in nonlinear state-space models using Kalman smoothing and the expectation-maximization algorithm. Quarterly y Journal of the Royal Meteorological Society, p1877-1885. DOI: 10.1002/qj.3048. [+]

FERRON, A.; DOMINGUEZ, D.; SANCHEZ, M. J. Mesoscopic fluctuations in biharmonically driven flux qubits. Physical Review B: Condensed Matter and Materials Physics. V. 95 Nº 4, p1-9 15-1-2017. DOI: 10.1103/PhysRevB.95.045412. [+]

GIMENEZ, L. I.; MICHELLOD, A. M.; JORGE, M. J.; PILA, A. N.; BORDÓN, A. G.; PROFETA, M. I.; ROMERO, J. M.; JORGE, N. L.; Spectrophotometric determination of the deltamethrin. AJST Publishing House; Asian Journal of Science and Technology; 8; 9; 27-9-2017; 5663-5665. [+]

LADO, J. L.; FERRÓN, A.; FERNÁNDEZ-ROSSIER, J. 2017. Exchange mechanism for electron paramagnetic resonance of individual adatoms. Physical Review B 96, 205420. [+]

LEAL, E. S.; AUCAR, M. G.; GEBHARD, L. G.; IGLESIAS, N. G.; PASCUAL, M. J.; CASAL, J. J.; GAMARNIK, A. V.; CAVASSOTTO, C. N.; BOLLINI, M. Discovery of novel dengue virus entry inhibitors via a structure-based approach. Elsevier; Biorganic and Medicinal Chemistry Letters; 27; 16; 6-2017; 3851-3855. [+]

LGUENSAT, R.; TANDEO, P.; AILLIOT, P.; PULIDO, M. A.; FABLET, R.; The analog data assimilation; American Meteorological Society; Monthly Energy Review; 145; 10; 10-2017; 4093-4107. [+]

LOREDO-SOUZA, A. M.; WITTWERT, A. R.; CASTRO, H. G.; VALLIS, M. B. 2017: Characteristics of Zonda wind in South American Andes. Wind and Structures, Vol. 24, No. 6, p657-677. DOI: 10.12989/was.2017.24.6.657. [+]

MARTINEZ, F.; AUCAR, G. A. Advance Article. Intermolecular magnetic interactions in stacked DNA base pairs. Physical Chemistry Chemical Physics. DOI: 10.1039/C7CP04484D. 2017. [+]

MOYANO. G.; MARCO, D.; KNOPOFF, D. A.; TORRES, G. A.; TURNER, C. Explaining coexistence of nitrogen fixing and non-fixing rhizobia in legume-rhizobia mutualism using mathematical modeling. Mathematical Biosciences, Amsterdam. 2017. vol. 292 p.30-35. [+]

PELLONI, S.; PROVASI, P.F.; PAGOLA, G.I.; FERRARO, M.B.; LAZZERETTI, P. Electric Dipole-Magnetic Dipole Polarizability and Anapole Magnetizability of Hydrogen Peroxide as Functions of the HOOH Dihedral Angle. Journal of Physical Chemistry A; Vol. 121 p. 9369- 9376. Washington. 2017. [+]

PONCE, C.A. CASALI, R.A.; CARAVACA, M. DE LOS A. Estudio Ab-Initio de Propiedades Electrónicas y Estructurales de Nanopartículas de SnO2 Bajo Presión. Revista Mata©ria; Rio de Janeiro; 2017.

PULIDO, M. and ROSSO, O. 2017: Model selection: Using information measures from ordinal symbolic analysis to select model sub-grid scale parameterizations. Journal Atmospheric Sciences DOI: 10.1175/JAS-D-16-0340.1. p.1-50, [+]

RODAS, C. and PULIDO, M. 2017: A climatology of Rossby wave generation in the middle atmosphere of the Southern hemisphere from MERRA reanalysis. Journal of Geophysical Research. doi: 10.1002/2017JD02659. [+]

SCHEFFLER, G. and PULIDO, M. 2017: Estimation of gravity-wave parameters to alleviate the delay in the Antarctic vortex breakup in general circulation models. Quarterly Journal of the Royal Meteorological Society DOI: 10.1002/qj.3074. V. 143. Nº 706, p.2157-2167 [+]

SEQUEIRA, A. F.; CACERES, L. M.; GAUNA, C. M.; MORALES, W. G.; CHAMORRO, E. R. 2017. Modelado matemático de la cinética de la reacción de transesterificación y prospección probabilística de la composición de lípidos saponificables en aceites vegetales. Revista Tecnología y Ciencia, Universidad Tecnológica Nacional. 30:169-177.

SIMESEN de BIELKE, M. M. La escala del tiempo: El concepto pitagórico de analogía en la definición de tiempo platónico-aristotélica; Universidad del Norte; Eidos; 27; 7-2017; 97-124. [+]

SIN, C. S.; BRITOS, M.; ORTEGA, S. M.; VASEK, O. M.; Reactivación de Lactobacillus spp. aislados de saliva y alimentos; Universidad Nacional del Nordeste. Facultad de Odontología; Revista de la Facultad de Odontología; 10; 1; 6-2018; 7-11. [+]

YANG, K.; BAE, Y.; PAUL, W.; NATTERER, F. D.; WILLKE, P. LADO, J. L.; FERRÓN, A.; CHOI, T.; FERNÁNDEZ ROSSIER, J.; HEINRICH, A. J.; LUTZ, C. P. 2017. Engineering the eigenstates of coupled spin-1/2 atoms on a surface. Physical Review Letters 119, 227206. [+]

Publications 2016

AUCAR, I.A.; GOMEZ, S. S.; GIRIBET, C. G. AND AUCAR G. A. Toward an absolute NMR shielding scale using the spin-rotation tensor within a relativistic framework. Royal Society of Chemistry. 2016. DOI: 10.1039/c6cp03355e. [+]

AUCAR, I.A.; GOMEZ, S. S.; GIRIBET, C. G. AND AUCAR G. A. Role of Spin-Dependent Terms in the Relationship among Nuclear Spin-Rotation and NMR Magnetic Shielding Tensors. J. Phys. Chem. Lett., 2016, 7, pp 5188–5192. DOI: 10.1021/ acs.jpclett.6b02361. Publication Date (Web): November 28, 2016. [+]

FALCIONE, L.; VALENZUELA, J.; SIN, C.; MAIDANA, M.; MUSIGH, A.; VASEK, O. Intercambio de experiencias productivas sobre quesos artesanales en San Luis del Palmar, Corrientes. Extensionismo, innovaciony transferencia tecnologica. Corrientes, Facultad de Ciencias Exactas y Naturales y Agrimensura, 2016. – vol. 2, p. 157-161. ISSN 2422-6424.

FLÓREZ, E.; MALDONADO, A. F.; AUCAR, G.A.; DAVID, J. and RESTREPO, A. Microsolvation of Methlymercury: Structures, Energies, Bonding and NMR Constants (199Hg, 13C and 17O). Physical Chemistry Chemical Physics, 2016, DOI: 10.1039/C5CP04826E. [+]

FERRÓN, A.; DOMINGUEZ, D. and SÁNCHEZ, M. J. Dynamic transition in Landau-Zener-Stückelberg interferometry of dissipative systems: The case of the flux qubit. Physical Review B 93, 064521. 2016. [+]

GIMENEZ, C. A.; KOZIOL, K. and AUCAR, G. A. Quantum electrodynamics effects on NMR magnetic shielding constants of He-like and Be-like atomic systems. Physical Review A (Vol.93, No.3), March, 2016. DOI: 10.1103/PhysRevA.93.032504. [+]

GIMENEZ, C.; MALDONADO, A. AND AUCAR, G. A. Relativistic and electron correlation effects on NMR J‑coupling of Sn and Pb containing molecules. Theoretical Chemistry Accounts (2016) 135: 201. doi:10.1007/s00214-016-1952-3. [+]

HANNART, A.; CARRASSI, A.; BOCQUET, M.; GHIL, M.; NAVEAU, P.; PULIDO, M.; RUIZ, J.; TANDEO, P. DADA: Data assimilation for the detection and attribution of weather- and climate-related events. Climate Change. 2016. DOI10.1007/s10584-016-1595-3. [+]

ORTEGA, S.M.; SIN, C. S. DE BIASSIO, M. B. Aggregatibacter actinomycetemcomitans en periodontitis crónica en individuos de Corrientes, República Argentina. Estudio preliminar. Revista de la Asociación Odontológica Argentina, 104(1): 9-15.

PROVASI, P. F; JIMENO, M. L.; ALKORTA, I.; REVIRIEGO, F.; ELGUERO, J.; JOKISAARID, J. The 1H NMR spectrum of pyrazole in a nematic phase. Magnetic Resonance in Chemistry. 2016. Londres. [+]

PULIDO, M.; SCHEFFLER, G.; RUIZ, J.; LUCINI, M. and TANDEO, P. Estimation of the functional form of subgrid-scale schemes using ensemble-based data assimilation: a simple model experiment. QUARTERLY JOURNAL OF THE ROYAL METEOROLOGICAL SOCIETY; Londres; 2016. DOI: 10.1002/qj.2879. [+]

QUIROGA, A. A. I.; FERNÁNDEZ, D.; TORRES, G. A.; TURNER, C. Nonlinear optimization for a tumor invasion PDE model. Computational and Applied Mathematics; DOI: doi:10.1007/s40314-016-0356-2. June 2016.

SANTA CRUZ, T.; AUCAR, G. A. Desarrollo a orden estricto C⁴ del modelo semirelativista LRESC para el cálculo de propiedades magnéticas moleculares. Revista Periódica de la Facultad de Ciencias Exactas y Naturales y Agrimensura (FACENA ) Vol. 31 pp. 35-47 ISSN 0325-4216 e ISSNe ISSN 1851-507X. [+]

SOUZA-LOREDO, S. M.; WITTWER, A.; ROCHA, M. M.; DE BORTOLI, M.; OLEVEIRA, K. M.; MARIGHETTI, J. O. Brazil and Argentina Joint Program in Wind Engineering. Wind engineers, jawe. Japan Association for Wind Engineering, 2016. vol. 41, nº 149, p. 331-335. ISSN 912-1935. [+]

SUÁREZ, A. I; MALDONADO, A. F. La Naturaleza de la Ciencia en el Nivel Medio en la ciudad de Corrientes, Argentina. Indagatio Didactica; Aveiro; 2016 vol. 8 p. 1793 – 1807. [+]

WITTWER, A.; DORADO, R.; ALVAREZ Y ALVAREZ, G.; DEGRAZIA, G. A.; LOREDO-SOUZA, A. M; BODMANN, B. Flow in the Wake of Wind Turbines: Turbulence Spectral Analysis by Wind Tunnel Tests. American journal of environmental engineering.: Scientific & Academic Publishing Co., 2016 – . vol. 6, p. 109-115. ISSN 2166-4633. [+]

WITTWER, A.; DORADO, R.; DEGRAZIA, G. A.; LOREDO-SOUZA, A. M; BODMANN, B. Escoamento na esteira de turbinas eólicas: Análise espectral da turbulência mediante testes em túnel de vento. Ciencia e natura. , Santa Maria: UFSM, 2016 – . vol. 38, p. 46-52. ISSN 0100-8307. [+]

WITTWER, A.; ALVAREZ Y ALVAREZ, G.; DEMARCO, D.; MARTINS, L. G. N.; PUHALES, F. S.; ACEVEDO, O. C.; DEGRAZIA, G. A.; BODMANN, B.; LOREDO-SOUZA, A. M; Employing Wind Tunnel Data to Evaluate a Turbulent Spectral Model. American journal of environmental engineering.: Scientific & Academic Publishing Co., 2016 – . vol. 6, p. 156-159. ISSN 2166-4633. [+]

Publications 2015

ACOSTA CODEN, D. S.; ROMERO, R.H. and RÄSÄNEN, ESA. Controlled high-fidelity navigation in the charge stability diagram of a double quantum dot. J. Phys.: Condensed Matter v.27 p. 115303. Londres 2015. [+]

ADEWOLE, K. K.; BULL, S. J. Finite element failure analysis of wires for civil engineering applications with various crack-like laminations. Engineering Failure Analysis. 60:229-249. 2015. ISSN:1350-6307. [+]

ADEWOLE, K. K.; AJAGBE, W. O. ARASI, Idris. Determination of appropriate mix ratios for concrete grades using Nigerian Portland-limestone grades 32.5 and 42.5. Leonardo El J Pract Technol 2015; 26:7988. [+]

BRYANT, B.; TOSKOVIC, R.; FERRÓN, A.; LADO, J. L.; SPINELLI, A.; FERNÁNDEZ-ROSSIER, J.; and OTTE, A. F. Controlled complete suppression of single-atom inelastic spin and orbital cotunnelling Nano Lett. 15, 6542, 2015. [+]

CASTRO H. G.; DE BORTOLI, M. E.; PAZ, R. R.; MARIGHETTI, J. O. Una metodología de cálculo para la determinación de la respuesta dinámica longitudinal de estructuras altas bajo la acción del viento. Revista Internacional de Métodos Numéricos para Cálculo y Diseño en Ingeniería, Volume 31, Issue 4, Pages 235-245. ISSN: 0213-1315. [+]

FALCIONE L. F.; VALENZUELA LÓPEZ, J. A.; SIN, C. S.; MAIDANA, M. M.; MUSIGH, A. J.; VASEK, O. M.; 2015. Intercambio de experiencias productivas sobre quesos artesanales en San Luis Del Palmar, Corrientes. Extensionismo, Innovación y Transferencia tecnológica. Claves para el desarrollo, 2:157-161. [+]

FERRÓN, A.; DELGADO, F.; FERNANDEZ-ROSSIER, J. Derivation of the spin Hamiltonians for Fe in MgO, New J. Phys. 17, 033020. 2015. [+]

FERRÓN, A.; LADO, J. L. and J. FERNANDEZ-ROSSIER, J. Electronic properties of transition metal atoms on Cu2N/Cu(100). Physical Review B 15, 174407. ISSN: 1098-0121. 2015. [+]

KNOPOFF, D. A.; FERNÁNDEZ, D.; TORRES, G. A.; TURNER, C. A mathematical method for parameter estimation in a tumor growth model. Computational and applied mathematics. Springer. Rio de Janeiro; 2015.

MALDONADO, A.; AUCAR, G. Absolute value of the nuclear magnetic shielding of silicon and germanium atoms in Si/Ge(CH₃)₄. Chemical Physics. V. 459, 2015. p. 125-130. [+]

MALDONADO, A.; MELO, J y AUCAR, G. Theoretical analysis of NMR shieldings of group-11 metal halides on MX (M = Cu, Ag, Au; X = H, F, Cl, Br, I) molecular systems, and the appearance of quasi instabilities on AuF. Physical Chemistry Chemical Physics. Volume 17, Issue 38, 2015, P. 25516-25524. [+]

MORALES, W.G.; SEQUEIRA, A. F.; CHAMORRO, E. R.; BRAGA, M.; SOBRAL, A.; DE SOUSA, H. Termogravimetria y espectroscopia de infrarrojo para el control del rendimiento en la obtención de alquil esteres. Extensionismo, innovación y transferencia tecnológica: Claves para el desarrollo.2015, Volumen 2, p. 35-45. [+]

QUIROGA, A. A. I; FERNÁNDEZ, D.; TORRES, G. A.; TURNER, C. Adjoint method for a tumor invasion PDE-constrained optimization problem in 2D using adaptive finite element method. Applied mathematics and computation. Elsevier science inc. Amsterdam, 2015 vol. 270 p. 358 – 358.

RUIZ J. and PULIDO, M. 2015: Parameter Estimation Using Ensemble Based Data Assimilation in the Presence of Model Error. Monthly Weather Review. 143, 1568-1582. DOI 10.1175/MWR-D-14-00017.1 [+]

SCHEFLER, G. and PULIDO, M., 2015: Compensation between resolved and unresolved wave drag in the stratospheric final warmings of the Southern hemisphere. J. Atmos. Sci. DOI 10.1175/JAS-D-14-0270.1 [+]

SIN, C.S.; VASEK, O.M.; ORTEGA, S.M. Metabolitos de bacterias lácticas antagónicos al crecimiento de microorganismos cariogénicos (Aceptado Revista de la Asociación Argentina de Investigación Odontológica ISSN 0004-4881). [+]

SUN, J.; NAPPO, C.J.; MAHRT, L.; BELUSIC, D.; GRISOGONO, B.; STAUFFER, D.R.; PULIDO, M; STAQUET, C.; JIANG, Q.; POUQUET, A. YAGUE, C.; GALPERIN, B.; SMITH, R. B.; FINNIGAN, J. J.; MAYOR, S.D.; SVENSSON, G.; GRACHEV, A.A. and NEFF, W.D. 2015: Review of wave-turbulence interactions in the stable atmospheric boundary layer. Review of Geophysics doi:10.1002/2015RG000487. [+]

SUTTER, K.; AUCAR, G. A. and AUTSCHBACH, J. Analysis of Proton NMR in Hydrogen Bonds in Terms of Lone Pair and Bond Orbital Contributions. CHEMISTRY – A EUROPEAN JOURNAL. Vol 21, Issue 50, Dec 7, 2015, pages 18138-18155. [+]

TANDEO, P.; PULIDO, M. and LOTT, F. Offline parameter estimation using EnKF and maximum likelihood error covariance estimates: application to a subgrid-scale orography parametrization. Quarterly Journal of the Royal Meteorological Society. 2015, 141, 383-395. [+]

VASEK, O.M.; CÁCERES, L. M.; CHAMORRO, E.R.; VELASCO, G.A. Antibacterial activity of Citrus paradisi essential oil. Journal of Natural Products, 8:16-26. ISSN 0974-5211. [+]

ZAMBÓN, S.; CHAMORRO, E.; CASUSCELLI, S. Estudio de la pureza óptica del citronelal presente en la citronela y el eucalipto citriodora del Nordeste Argentino usando un método simple. Revista Información Tecnológica Vol. 26(4), 29-36 (2015) doi: 10.4067/S0718-07642015000400005. [+]

ZARYCZ, M. N. C.; PROVASI, P. F.; SAUER, S. P. On the truncation of the number of excited states in density functional theory sum-over-states calculations of indirect spin spin coupling constants. Journal of chemical physics, New York: AMER INST PHYSICS, 2015. Vol 143, p. 1-12. ISSN 0021-9606.

Publications 2014

AIRES, M.; DE BORTOLI, M. E.; OBREGÓN, P. M.; MARIGHETTI, J. O. Potencial Eólico de las provincias de Corrientes, Chaco y Formosa. Avances en Energías Renovables y Medio Ambiente, AVERMA. Revista de la Asociación Argentina de Energías Renovables y Ambiente, Vol. 2, pp. 137-146, 2014. ISSN 0329-5184.

ALKORTA, I.; CLARAMUNT, R.M.;ELGUERO, J.; FERRARO, M. B.; FACELLI, J.C.; PROVASI, P.F.; REVIRIEGO, F. 2014: The origin of the splitting of 13C and 15N NMR signals of 3(5)-phenyl-5(3)-methylpyrazolium chloride and bromide in the solid state: Quantum Espresso calculations. Journal of Molecular Structure. Amsterdam. Vol. 1075 p. 551 – 558. ISSN 0022-2860. [+]

AUCAR, G. A. Toward a QFT-based theory of atomic and molecular properties. Physical chemistry chemical physics. Cambridge: Royal Soc Chemistry, 2014, vol. 16, p. 4420-4438. ISSN 1463-9076. [+]

AUCAR, I. A.; GOMEZ, S. S.; GIRIBET, C. G.; RUIZ DE AZÚA, M. C. Theoretical study of the relativistic molecular rotational g-tensor. Journal of chemicla Physics. New York: Amer Inst Physics. 2014 vol.141 n° 19. p. 1941031 – 19410312. ISSN 0021-9606. [+]

CANELA, E.; MARIGHETTI, J. O.; DE BORTOLI, M. E. Ventilación natural aplicada a naves industriales, aspectos técnicos. Avances en Energías Renovables y Medio Ambiente, AVERMA. Revista de la Asociación Argentina de Energía Solar. Vol. 2, pp. 33 – 41, 2014. ISSN 0329-5184. [+]

CAPUTO, M. C.; PROVASI, P.F; BENITEZ, L.; GEORG, H. C.; CANUTO, S.; COTINHO, K. 2014: Monte Carlo−Quantum Mechanics Study of Magnetic Properties of Hydrogen Peroxide in Liquid Water. Journal of physical chemistry a. Washington: AMER CHEMICAL SOC, 2014. Vol. 118 p. 6239 – 6247. ISSN 1089-5639. [+]

CASTRO, H. G.; DE BORTOLI, M. E.; PAZ, R. R.; MARIGHETTI, J. O. Una metodología de cálculo para la determinación de la respuesta dinámica longitudinal de estructuras altas bajo la acción del viento. Metodos Numericos para Calculo y Diseno en Ingenieria; ISSN 0213-1315, 2014. [+]

DAGNINO, E. P.; CHAMORRO, E. R.; FELISSIA, F. E.; AREA, M. C. Obtención de bietanol a partir de la celulosa presente en cascarilla de arroz y aserrín de algarrobo. Avances en energías renovables y medio ambiente; Misiones; 2014 vol. 18 p. 06.01-06.07 ISSN 2314-1433.

DAGNINO, E. P.; MEDINA, C. A.; VELIGNI, M. V.; CHAMORRO, E. R. Evaluación de Lípidos Extraídos de Microalgas Nannochloropsis Oculata para la Producción de Biodiesel. Tecnología y Ciencia; 2014 nº 26, p. 87 – 92. ISSN 1666-6917.

FERRON, A.; DOMINGUEZ, D.; SANCHEZ, M. J. Weak localization and conductance fluctations-like effects in Qubits driven by biharmonic signals. Journal of physics: conference series, London: Institute of Physics (IOP), 2014. Vol. 568 nº 5, p. 52028-52028. ISSN 1742-6588. [+]

KOCH, K. E., VASEK, O.M. Capacidad remineralizante de péptidos bioactivos derivados de las proteínas lácteas. Fount., San Miguel de Tucumán: Facultad de Odontología de la Universidad Nacional de Tucumán, 2014, nº 32, p. 21-23. ISSN 0325-125X. [+]

MALDONADO, A. F. and AUCAR, G. A., 2014: Relativistic and Electron-Correlation Effects on the Nuclear Magnetic Resonance Shieldings of Molecules Containing Tin and Lead Atoms. Journal of physical chemistry a. Washington: AMER CHEMICAL SOC, 2014. 118, 7863−7875. ISSN 1089-5639. [+]

MALDONADO, A. F.; AUCAR, G. A. and MELO, J. I. 2014: Core-dependent and ligand-dependent relativistic corrections to the nuclear magnetic shieldings in MH4-nYn (n=0-4; M = Si, Ge, Sn, and Y = H, F, Cl, Br, I) model compounds. Vol. 20, p. 2417-2432. ISSN 1610-2940. [+]

AIDAS, K.; ANGELI, C.; BAK, K. L.; BAKKEEN, V.; BAST, R.; BOMAN, L.; CHISTIANSEN, O.; CORIANI, S.; DAHLE, P.; DALSKOV, E. K.; EKSTRÖM, U.; ENEVOLDSEN, T.; ERIKSEN, J. J.; ETTENHUBER, P.; FERNANDEZ, B.; FERRIGHI, L.; FLIEGL, H.; FREDIANI, L.; HALD, K.; KALKIER, A.; HÄTTIG, C.; HEIBERG, H.; HELGAKER, T.; HENNUM, A. C.; HETTEMA, H.; HJERTENAES, E.; HOST, S.; MELO, J. I,; PROVASI, P. F. The Dalton quantum chemistry program system. Wiley interdisciplinary reviews: computational molecular science, New York: John Wiley & Sons Ltd, 2014. vol. 4, p. 269-289. ISSN 1759-0884. [+]

MORALES, W.; ZURKO, V.; SEQUEIRA, A.; CHAMORRO, E. Evaluación de variables para la producción de metil ésteres a partir de aceite de semilla de algodón asistido por Ultrasonido. Extensionismo, innovación y transferencia tecnológica. Claves para el desarrollo. Corrientes: Facultad de Ciencias Exactas y Naturales UNNE, 2014. vol 1, p. 119-124. ISSN 2422-6424. [+]

ORTIZ, G. P.; INCHAUSSANDAGUE, M.; SKIGIN, D.; DEPINE, R. y MOCHÁN, W. L. Effective non-retarded method as a tool for the design of tunable nanoparticle composite absorbers. Journal of Optics. Londres: IOP PUBLISHING LTD, 2014. vol. 16, nº 10, p. 105012 – 105022. ISSN 2040-8978. [+]

PAGOLA; G. I.; FERRARO, M. B.; PROVASI, P.F.; PELLONI, S.; LAZZERETTI, P. 2014: Theoretical estimates of the anapole magnetizabilities of C4H4X2 cyclic molecules for X=O, S, Se, and Te. Journal of Chemical Physics, New York. Vol. 141. nº 0943, p. 43051-43057. ISSN 0021-9606. [+]

PROVASI, P.F; PAGOLA, G. I.; FERRARO, M. B.; PELLONI, S; LAZZERETTI, P. 2014. Magnetizabilities of Diatomic and Linear Triatomic Molecules in a Time-Independent Nonuniform Magnetic Field. Journal of Physics Chemical A. Washington. vol. 118 p. 6333 – 6342. ISSN 1089-5639. [+]

PULIDO, M, 2014: A Simple Technique to Infer the Missing Gravity Wave Drag in the Middle Atmosphere Using a General Circulation Model: Potencial Vorticity Budget. J. Atmos. Sci., 71, 683-696. [+]

RODAS, C. and PULIDO, M. 2014: The Breaking of Transience Inertio-Gravity Waves in a Shear Flow using Gaussian Beam Approximation. Journal of Fluid Mechanics, Cambridge: CAMBRIDGE UNIV PRESS, 2014. vol. 759, p. 676-700. ISSN 0022-1120. [+]

SANTA CRUZ, T.; AUCAR, G. Desarrollo a orden estricto c-4 del modelo semi-relativista Iresc para el cálculo de propiedades magnéticas moleculares. FaCENA. 2014. vol 30, p. 35-47. ISSN 0325-4216 [+]

TORANZOS, V.; ZERBINO, J. O.; MALTZ, A.; ORTIZ, G. P. Estudio elipsométrico de películas semitransparentes de plata depositadas sobre vidrio. Avances en Ciencias e Ingeniería. 2014, Vol. 5, nº. 4, p. 67-75. ISSN: 0718-8706.

ZARYCZ, M. N.; SAUER, S. P. A.; PROVASI, P. F. Communication: Localized molecular orbital analysis of the effect of electron correlation on the anomalous isotope effect in the NMR spin-spin coupling constant in methane. Journal of chemical physics. New York: AMER INST PHYSICS, 2014. vol 141, nº 1511 p. 1-7. ISSN 0021-9606. [+]

Publications 2013

ACOSTA CODEN, D.S.; ROMERO, R.; FERRON, A.; GÓMEZ, S.S. Impurity effects in two-electron coupled quantum dots: entanglement modulation, J. Phys. B: At. Mol. Opt. Phys. 46 065501(2013). [+]

AUCAR, I.A.; GÓMEZ, S.S.; MELO, J.I.; GIRIBET, C.C.; RUIZ DE AZUA, M. Theoretical study of the nuclear spin-molecular rotation coupling for relativistic electrons and non-relativistic nuclei. II. Quantitative results in HX (X=H,F,Cl,Br,I) compounds, Journal of Chemiclal Physics. 138, 134107 (2013). [+]

AUCAR, I.A.; GÓMEZ, S.S.; GIRIBET, C.G. ; RUIZ DE AZÚA, M.C. Breit interaction effects in relativistic theory of the nuclear spin-rotation tensor, Journal of Chemiclal Physics. 139, 094112 (2013). [+]

DAGNINO, E.P.; CHAMORRO, E.R.; ROMANO, S.D.; FELISSIA, F.E. Optimization of the acid pretreatment of rice hulls to obtain fermentable sugars for bioethanol production. Area M. C. Industrial Crops and Products. 42:363-368 (2013). [+]

DAGNINO, E.P.; CHAMORRO, E.R.; ROMANO, S.D.; FELISSIA, F.E. Optimization of the pretreatment of prosopis nigra sawdust for the production of fermentable sugars. Area M. C. BioResources 8(1):499-514 (2013). [+]

DETREMBLEUR, C.; CLEMENT, J.L.; SCIANNAMEA, V.; JEROME, C.; CATALA, J. M. GIGMES, D.; AUSTISSIER L.; BOTEK, E.; ZARYCZ, N.; CHAMPAGNE, B. In-situ nitroxide mediated polymerization of styrene promoted by the N-tert-butyl-á-isopropylnitrone/BPO pair: ESR investigations. Journal of polymer science part a-polymer chemistry., New York: JOHN WILEY & SONS INC, (2013) vol. 51, p. 1786-1795. [+]

FERRÓN, A.; OSENDA, O.; SERRA, P. Quantum control of a model qubit based on a multi-layered quantum dot. J. Appl. Phys. 113, 134304 (2013). [+]

LANCELLE, H.G.; et al. Physicochemical characteristics and quality analysis of commercial honeys of Apis mellifera produced by artisanal beekeepers in Corrientes (Argentina). Natural Products : An Indian Journal. vol. 9, no.6, 228-236 (2013).

LOVEY,D.A.; ROMERO, R. Quantum transport through single and multilayer icosahedral fullerenes. J. Appl. Phys. 114, 144305 (2013) [+]

LOVEY, D.A.; ROMERO, R. Conductancia y estructura electrónica de moléculas orgánicas conjugadas. Anales afa., Tandil: Asociación Física Argentina, 2013. vol. 23, n°1, p. 171-175. [+]

ORTIZ, J.J.; ORTIZ, G.P. et al. Scalable design of an IMS cross-flow micro-generator/ion detector. Journal of Micromechanical and Microengineering, 23, 045024 (2013).

PÉREZ HUERTA, J.S.; ORTIZ, G.P.; MENDOZA, B.S.; MOCHÁN, W.L. Macroscopic Optical Response and Photonic Bands. New Journal of Physics, 15, 043037, (2013). [+]

RUIZ, J.J.; PULIDO, M.; MIYOSHI, T. Estimating model parameters with ensemble-based data assimilation: A review. J. Meteorol. Soc. Japan, (2013) 91(2): 79-99 . Invited review article. [+]

RUIZ, J.J.; Pulido, M. and MIYOSHI, T. Estimating parameters with ensemble-based data assimilation: Parameter covariance treatment. J. Meteorol. Soc. Japan. (2013) 91(4), 453-469. [+]

VASEK, O.M.; FALCIONE, L.F. Quesos Artesanales de Corrientes. Riesgo de Enfermedades Transmitidas por alimentos: encefalopatía espongiforme bovina. FACENA. (2013) 27:13-23. [+]

VASEK, O.M.; MAZZA, S.G.; SAVOY de GIORI, G. Physico-Chemical and microbiological evaluation of Corrientes Artisanal Cheese during ripening. Food Sci. Technol. (2013) 33(1): 151-160. [+]

VERA, C. S.; PULIDO, M. A.; CARRIL, A. F. Report on the Regional WCRP/SPARC Workshop with focus on the Southern Hemisphere and South America. WCRP; SPARC Newsletter; 41; 7-2013; 11-15. [+]

WITTWER, A. R.; WELTER, G. S.; LOREDO SOUZA, A. M. Avaliação da escala de tempo em túneis de vento com base na análise espectral e os critérios de semelhança. Ciencia e natura. Santa María: UFSM, 2013 – vol. Esp., n°2013, p. 16-20. ISSN 0100-8307. [+]

YACCUZZI POLISENA, V. Are quantum theory questions epistemic? Published in english at Topologik. Rivista Internazionale di Scienze Filosofiche, Pedagogiche e Sociali. Fondata e diretta da Michele Borrelli. ISSN: 2036-5683 e-ISSN: 2036-5462. n. 14 / II semestre 2013 – Issue n° 14 / Second semester 2013 [+]

YACCUZZI POLISENA, V. AUCAR, G.A. Re-construcción de la realidad. Revista Digital de Humanidades. Revista Digital de Humanidades Sàrasuati 2.1 con ISSN 1989-564X. Licencia CC 3.0. Barcelona. 1 de febrero 2013. Idioma Español.

Publications 2012

AUCAR, I.A.; GOMEZ, S.S.; RUIZ DE AZUA, M.; GIRIBET, C.G. Theoretical study of the nuclear spin-molecular rotation coupling for relativistic electrons and non relativistic nuclei. J. Chem. Phys., 2012, 136 (20) . [+]

CASTRO, H. G.; PAZ, R. R. A time and space correlated turbulence synthesis method for Large Eddy Simulations. Journal of Computational Physics. Amsterdam. 2012. 235, p. 742-763. [+]

FERRÓN, A.; OSENDA, O.; SERRA, P. Near-threshold properties of the electronic density of layered quantum dots. Phys. Rev. B 2012. 85, 165322. [+]

FERRÓN, A.; DOMINGUEZ, D.; SÁNCHEZ, M. J. Tailoring population inversion in Landau-Zener-Stuckelberg interferometry of flux qubits. Phys. Rev. Lett. (2012) 109, 237005.

GESTER, R.M; GEORG, H.C.; FONSECA, T.L.; PROVASI, P.F.; CANUTO, S. A simple analysis of the influence of the solvent-induced electronic polarization on the 15N magnetic shielding of pyridine in water. Theoretical Chemistry Accounts (2012) 131: 1220 – 1228. [+]

LOVEY, D. A.; ROMERO, R. H. Conductancia y estructura electrónica de moléculas orgánicas conjugadas; Asociación Física Argentina; Anales Afa; 23; 1; 22-8-2012; 171-175. [+]

LOVEY, Daniel A.; ROMERO, Rodolfo H. Quantum interference through gated single-molecule junctions. Chem. Phys. Lett .(2012) 530, 86-92. [+]

MALDONADO, A.F.; GIMENEZ, C.A.; AUCAR, G.A. NMR espectroscopic parameters of HX and Si (Sn) X_4 (X = H, F, Cl, Br and I) and SnBr_{4-n} I_n model compounds. Chem. Phys.(2012) 395, 75-81. [+]

MALDONADO, A.F.; GIMENEZ, C.A.; AUCAR, G.A. Nuclear charge-distribution effects on the NMR spectroscopy parameters. J. Chem. Phys.(2012) 136, 224110 – 224120. [+]

MELO, J.I.; MALDONADO, A.F; AUCAR, G.A. Relativistic effects on the shielding of CHnX4.n and CHXYZ (X, Y, Z = H, F, Cl, Br and I). J. Chem. Phys.(2012) 137, 214319.

MORALES, W.; SEQUEIRA, A. F; CHAMORRO, E. R.; BRAGA, M.; SOBRAL, A. DE SOUSA, H.; HERRERO, E. R.. Catálisis heterogénea en la obtención de biodiesel. Avances en energías renovables y medio ambiente. Salta . Asociación Argentina de Energía Solar. 2012. vol. 16, p. 15-22. [+]

ORTÍZ, G.P.; MOCHÁN, W.L. Dispersión de luz por agregados fractales. Saarbrücken, (Alemania) : Ed. Académica Española; Academic Publishing GmbH and Co KG, 2012. ISBN:978-3- 8484-5743-4. [+]

PROVASI, P.F.; CAPUTO, M.M. ; SAUER, S.P.A ; ALKORTA, I.; ELGUERO, J. Analysis of the interactions between difluoroacetylene and one or two hydrogen fluoride molecules based on calculated spin-spin coupling constants. Computational and Theoretical Chemistry. (2012) 998:98-105.

PULIDO, M.; RODAS, C.; DECHAT, D.; LUCINI, M. High gravity-wave activity observed in Patagonia, Southern America: generation by a cyclone passage over the Andes mountain range. Q.J.R. Meteorol. Soc. 2012. [+]

PULIDO, M.; POLAVARAPU, S.; SHEPHERD, T.; THUBURN, J. Estimation of optimal gravity wave parameters for climate models using data assimilation. Quartely journal of the royal meteorological society. Reading UK: John Wiley & Sons LTD, 2012. vol. 138, p298-309. [+]

SOSA, M.E.; LANCELLE, H.G.; TONN, C.E.; ANDRES, M.F.; CONZALEZ-COLOMA, A. Insecticidal and nematicidal essential oils from Argentinean Eupatorium and Baccharis spp. Biochemical Systematics and Ecology (2012) vol. 43 132-138. ISSN 0305-1978. [+]

ZARYCZ, N.; AUCAR, G.A. Analysis of Electron Correlation Effects and Contributions of NMR J-Couplings from Occupied Localized Molecular Orbitals. J. Phys. Chem. A, 2012, 116 (4), 1272–1282.

ZARYCZ, N.; AUCAR, G.A. The analysis of NMR J-couplings of saturated and unsaturated compounds by the localized second order polarization propagator approach method. J. Chem. Phys. 2012, 136 (17) 174115. [+]

Publications 2011

ACOSTA CODEN, D.S.; GOMEZ, S.S.; ROMERO, R.H. Atoms confined in a penetrable potential: effect of the atom position on the electric and magnetic responses. J. Phys. B: At. Mol. Opt. Phys. 2011. vol. 44, 35003.

ALKORTA, Ibon; ELGUERO, José; PROVASI, Patricio F.; PAGOLA, Gabriel I.; FERRARO, Marta B. Electric field effects on nuclear magnetic shielding of the 1:1 and 2:1 (homo and heterochiral) complexes of XOOX′ (X, X′ = H, CH3) with lithium cation and their chiral discrimination J. Chem. Phys. 2011. vol. 135, 104116.

ALKORTA, Ibon; ELGUERO, José; PROVASI, Patricio F.; PAGOLA, Gabriel I.; FERRARO, Marta B. Theoretical Study of the 1:1 and 2:1 (Homo- and Heterochiral) Complexes of XOOX′ (X, X′ = H, CH₃) with Lithium Cation. J. Phys. Chem. A, 2011, 115 (26), pp 7805–7810.

GÓMEZ, Sergio S.; AUCAR, Gustavo A. Relativistic effects on the nuclear magnetic resonance shielding of FX (X = F, Cl, Br, I, and At) molecular systems. J. Chem. Phys. 2011. vol. 134, 204314.

LOVEY, Daniel A.; GOMEZ, Sergio S.; ROMERO, Rodolfo H. Transmission through a quantum dot molecule embedded in an Aharonov–Bohm interferometer. J. Phys.: Condens. Matter. 2011. vol. 23, 425303.

MELO, J.I.; MALDONADO, A.; AUCAR, G.A. Relativistic effects on the shielding of SnH2XY and PbH2XY (X, Y = F, Cl, Br and I) heavy atom-containing molecules. Theor. Chem. Acc. 2011. vol. 129, 483-494.

ORTEGA, S.; VASEK, O.M.; SIN, C. Aggregatibacter (Actinobacillus) actinomycetemcomitans y enfermedad peridontal. Revista facultad de odontología. Corrientes, Facultad de Odontología de la Universidad Nacional del Nordeste (FOUNNE), 2011. vol. IV, p. 29-36. ISSN 1668-7280.

PULIDO, M.; POLAVARAPU, S.; SHEPHERD, T.G.; THUBURN, J. Estimation of optimal gravity wave parameters for climate models using data assimilation. Article first published online: 28 SEP 2011 [+]

PULIDO, M.; RODAS, C. A Higher Order Ray Approximation applied to Orographic Gravity Waves: Gaussian Beam Approximation. J. Atmos. Sci. 2011. vol. 68, 46–60.

ROUKALA, J.; MALDONADO, A.F.; VAARA, J.; AUCAR, G.A.; LANTTO, P. Relativistic effects on group-12 metal nuclear shieldings. Phys. Chem. Chem. Phys., 2011, Dec 21;13(47): 21016-25. [+]

ZIELLA, D.H.; CAPUTO, M.C.; PROVASI, P.F. Study of geometries and electronic properties of AgSin clusters using DFT/TB. International Journal of Quantum Chemistry, 2011. vol. 111 (7-8), 1680-1693. [+]

Publications 2010

ALEXANDER, M. J.; GELLER, M.; MCLANDRESS, C.; POLAVARAPU, S.; PREUSSE, P.; SASSI, F.; SATO, K.; ECKERMANN, S.; ERN, M.; HERTZOG, A.; KAWATANI, Y.; PULIDO, M.; SHAW, T.; SIGMOND, M.; VINCENT, R.; WATANABE, S. Recent Developments in Gravity Wave Effects in Climate Models, and the Global Distribution of Gravity Wave Momentum Flux from Observations and Models. Q. J. Roy. Meteorol. Soc. 2010. Vol. 136, Issue 650, p. 1103–1124, Part A. [+]

AUCAR, G.A.; ROMERO, R.H.; MALDONADO, A.F. Polarization propagators: A powerful theoretical tool for a deeper understanding of NMR spectroscopic parameters. International Reviews in Physical Chemistry. 2010. vol. 29 p.1-64

CORTES, E.; MOCHÁN, W.L.; MENDOZA, B.S.; ORTIZ, G.P. Optical properties of nanostructured metamaterials. Physica Status Solidi (B) Basic Research. 2010. Vol. 247, Issue 8, p. 2102-2107.

GOMEZ, S.S.; ROMERO, R.H. Binding energy of an off-center shallow donor D- in a spherical quantum dot. Physica E. 2010. vol. 42 p.1563-1566. [+]

ORTIZ, G.P.; MOCHÁN, W.L.; MENDOZA, B.S. Efficient homogenization procedure for the calculation of optical properties of 3D nanostructured composites. Optics Express. 2010. Vol. 18, Issue 21, p. 22119-22127.

PONT, F.M.; OSENDA, O.; TOLOZA, J.H.; SERRA, P. Entropy, fidelity, and double orthogonality for resonance states in two-electron quantum dots. Phys. Rev. A. 2010, vol. 81, 042518 (9pp).

PROVASI, P.F; SAUER, S.P.A. Optimized basis sets for the calculation of indirect nuclear spin-spin coupling constants involving the atoms B, Al, Si, P, and Cl. Journal of Chemical Physics. 2010. vol. 133 n. 0543 p.1-10 [+]

PROVASI, P.F; SAUER, S.P.A. Erratum: Analysis of isotope effects in NMR one-bond indirect nuclear spin-spin coupling constants in terms of localized molecular orbitals (Physical Chemistry Chemical Physics (2009) 11 (3987-3995). Physical Chemistry Chemical Physics. 2010. vol. 12, issue 45, p. 15132. [+]

SILVA, L.O.; TOLOZA, J.H. On the spectral characterization of entire operators with deficiency indices (1,1). J. Math. Anal. Appl. 2010, vol. 367, p.360-373.

ZARYCZ, N.; AUCAR, G.A.; VÉDOVA, C.D. NMR spectroscopic parameters of molecular systems with strong hydrogen bonds. Journal Of Physical Chemistry A. 2010. vol. 114 p.7162-7172. [+]

Publications 2009

Publications 2008

ALKORTA, I. ; PROVASI, P.; AUCAR, G.A.; ELGUERO, J. A computational study of 2JHH(gem) indirect spin-spin coupling constants in simple hydrides of the second and third periods. Magnetic Resonance In Chemistry. 2008. vol. 46 p.356-361 [+]

AUCAR, G.A. Understanding NMR J-couplings by the Theory of Polarization Propagators. Concepts in Magn. Reson. Part A. 2008. vol. 32A p.88-116. [+]

BUSSO, A,; SOGARI, N.; ESQUIVEL, O.; FRANCO, J. Ciclo de absorción amoniaco-agua con energía solar como fuente térmica: primeros resultados del acople con aceite térmico. Avances en energías renovables y medio ambiente. Buenos Aires: Asociación Argentina de Energías Renovables y Ambiente, 2008. vol. 12, p. 7-13.

CONTRERAS, R.H.; PROVASI, P.; DOS SANTOS, F.P.; TORMENA, C.F. Stereochemical dependence of NMR geminal spin–spin coupling constants. Magn. Reson. Chem.. 2008. vol. 47 p.113-120 [+]

DEL BENE, J.E.; PROVASI, P.; ALKORTA, I. ; ELGUERO, J. Resolving an apparent discrepancy between theory and experiment: spin–spin coupling constants for FCCF. Magn. Reson. Chem. 2008. vol. 46 p.1003-1006. [+]

GOMEZ, S.S.; ROMERO, R.H. Few-electron semiconductor quantum dots with Gaussian confinement. Central European Journal of Physics, 2008. vol. 7 p.12-21. [+]

PALACIOS, W.D.; KOROPECKI, R. R.; ARCE, R. D.; BUSSO, A. Hydrogen isotopic substitution experiments in nanoestructured porous silicon. Thin solid films. SEQUOIA, LAUSANNE: ELSEVIER SCIENCE, 2008. vol. 516, nº 12, p.3723-3734. [+]

PULIDO, M.; RODAS, C. Do transience gravity waves in a shear flow break? Q. J. Roy. Meteorol. Soc. 2008. vol. 131, 1215-1232. [+]

PULIDO, M.; THUBURN, J. The seasonal cycle of gravity wave drag in the middle atmosphere. J. Climate. 2008. vol. 21, 4664-4679. [+]

SAUER, S.P.A.; PROVASI, P. The Anomalous Deuterium Isotope Effect in the NMR Spectrum of Methane: An Analysis in Localized Molecular Orbitals. Chemphyschem. 2008. vol. 9 p.1261-1261 [+]

SILVA, L.O.; TOLOZA, J.H. Bounded rank-one perturbations in sampling theory. J. Math. Anal. Appl. 2008. vol. 345 p.661-669

ZARYCZ, M.N.; AUCAR, G.A. Theoretical NMR Spectroscopic Analysis of the Intramolecular Proton Transfer Mechanism in ortho-Hydroxyaryl (Un-) Substitued Schiff Bases. J. Phys. Chem. A. 2008. vol. 112 p.8767-8774

ZARYCZ, M.N.; BOTEK, E.; CHAMPAGNE, B.; SCIANNAMÉA, V.; DETREMBLEUR, CH. Joint Theorical Experimental Investigation of the Electron Spin Resonance Spectra of Nitroxyl Radicals: Aplication to Intermediates in Situ Nitroxide Mediated Polymerization (In Situ NMP) of Vinyl Monomers. Journal of physical chemistry b. Washington: American Chemical Society. 2008. vol. 112, nº 34, p. 10432-10442. [+]