INVESTIGADORES
PRONSATO Maria Estela
artículos
AMBRUSI, R.E.; ROBEIN, Y.; PRONSATO, M.E.; BRIZUELA, G.
Cd adsorption and detection by silver clusters supported on carbon dots surface: A computational study
Computational and Theoretical Chemistry; Año: 2024 vol. 1231
MERLINSKY, LUCIANO SANCHEZ; PISTONESI, CAROLINA; PRONSATO, M. ESTELA; BARALDO, LUIS; WILLIAMS, FEDERICO J.
Electronic structure modulation in ruthenium (II) polypyridine complexes adsorbed on rutile TiO2(110) surfaces
SURFACE SCIENCE; Año: 2024 vol. 742
ROBEIN, Y.; AMBRUSI, R.E.; PRONSATO, M.E.; DI NEZIO, M.S.; BRIZUELA, G.
A theoretical study of the functionalized carbon dots surfaces binding with silver nanostructures
Computational and Theoretical Chemistry; Año: 2023 vol. 1223
J. KÖBL; C. C. FERNÁNDEZ; L.M. AUGUSTIN; E. Y. KATAEV; S. FRANCHI; N. TSUD; C. PISTONESI; M. E. PRONSATO; N. JUX; O. LYTKEN; F. J. WILLIAMS; H. P. STEINRÜCK
Benzohydroxamic acid on rutile TiO2(110)-(1×1)? a comparison of ultrahigh-vacuum evaporation with deposition from solution
SURFACE SCIENCE; Lugar: Amsterdam; Año: 2022 vol. 716
AMBRUSI, R.E.; ORAZI, V.; MARCHETTI, J.M.; JUAN, A.; PRONSATO, M.E.
Hydrogen storage by spillover on Ni4 cluster embedded in three vacancy graphene. A DFT and dynamics study
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS; Lugar: Amsterdam; Año: 2022 vol. 167
ARROYAVE, J.M.; AMBRUSI, R.E.; ROBEIN, Y.; PRONSATO, M.E.; BRIZUELA, G.; DI NEZIO, M.S.; CENTURIÓN, M.E.
Carbon dots structural characterization by solution-state NMR and UV–visible spectroscopy and DFT modeling
APPLIED SURFACE SCIENCE; Año: 2021 vol. 564
ORAZI, V.; AMBRUSI, R.E.; MARCHETTI, J.M.; PRONSATO, M.E.
DFT study of the hydrogen adsorption and storage on Ni4 cluster embedded in multivacancy graphene
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY; Año: 2021 vol. 45 p. 30805 - 30817
CHASVIN, NILDA; SVENDA, PETR; PRONSATO, MARÍA ESTELA; DIEZ, ALEJANDRA; VOLPE, MARÍA ALICIA; JOHÁNEK, VIKTOR; PISTONESI, CAROLINA
Low-loading Pt/β-Mo2C catalyst for ethanol dissociation. Experimental and theoretical characterization
PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Lugar: CAMBRIDGE; Año: 2021 vol. 23 p. 23567 - 23575
ARROYAVE, JEISON MANUEL; AMBRUSI, RUBÉN E.; PRONSATO, MARÍA ESTELA; JUAN, ALFREDO; PISTONESI, MARCELO FABIAN; CENTURIÓN, MARÍA EUGENIA
Experimental and DFT Studies of Hybrid Silver/Cdots Nanoparticles
JOURNAL OF PHYSICAL CHEMISTRY B - (Print); Año: 2020 vol. 124 p. 2425 - 2435
AMBRUSI, RUBÉN E.; ORAZI, VALERIA; MARCHETTI, JORGE M.; PRONSATO, M. ESTELA
Ni Clusters Embedded in Multivacancy Graphene Substrates
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS; Lugar: Amsterdam; Año: 2020 vol. 138
AMBRUSI, R.E.; ARROYAVE, J.M.; CENTURIÓN, M.E.; DI NEZIO, M.S.; PISTONESI, M.F.; JUAN, A.; PRONSATO, M.E.
Density functional theory model for carbon dot surfaces and their interaction with silver nanoparticles
PHYSICA E; Año: 2019 vol. 114
R. E. AMBRUSI; M. E. PRONSATO
DFT study of Rh and Ti dimers decorating N-doped pyridinic and pyrrolic graphene for molecular and dissociative hydrogen adsorption
APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2019 vol. 464 p. 243 - 254
AMBRUSI, RUBÉN E.; PRONSATO, MARÍA E.; GARCÍA, SILVANA G.
Underpotential deposition and involved alloy formation of cadmium on silver particles modified HOPG substrates
JOURNAL OF SOLID STATE ELECTROCHEMISTRY (PRINT); Año: 2018 vol. 22 p. 193 - 202
R. SEDIVÁ; PISTONESI, CAROLINA; PRONSATO, MARÍA ESTELA; T. DUCHON; V. STETSOVYCH; J. MYSLIVECEK; K. MASEK
One-dimensional tungsten oxide nanostructures on Cu(110) surface
JOURNAL OF PHYSICS CONDENSED MATTER; Año: 2018
ROBINA, A.; BECHTHOLD, P.; JUAN, A.; PISTONESI, C.; PRONSATO, M.E.
Hydrogen storage in Zr0.9Ti0.1(Ni0.5Cr0.5-xVx)2 Laves phase, with x = 0, 0.125, 0.25, 0.375, 0.5. A theoretical approach
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY; Año: 2018 vol. 43 p. 16085 - 16091
AMBRUSI, RUBEN E.; LUNA, C. ROMINA; SANDOVAL, MARIO G.; BECHTHOLD, PABLO; PRONSATO, M. ESTELA; JUAN, ALFREDO
Rhodium clustering process on defective (8,0) SWCNT: Analysis of chemical and physical properties using density functional theory
APPLIED SURFACE SCIENCE; Año: 2017 vol. 425 p. 823 - 832
ORAZI, V.; BECHTHOLD, P.; JASEN, P.V.; FACCIO, R.; PRONSATO, M.E.; GONZÁLEZ, E.A.
DFT study of methanol adsorption on PtCo(111)
APPLIED SURFACE SCIENCE; Año: 2017 vol. 420 p. 383 - 389
CHASVIN, NILDA; DIEZ, ALEJANDRA; PRONSATO, M. ESTELA; SEDIVÁ, ROMANA; JOHÁNEK, VIKTOR; VOLPE, MARÍA ALICIA; PISTONESI, CAROLINA
Theoretical and experimental study of ethanol adsorption and dissociation on Β-Mo2C surfaces
Molecular Catalysis; Año: 2017 vol. 439 p. 163 - 170
R. E. AMBRUSI; S. G. GARCÍA; M. E. PRONSATO
DFT study of the formation of Cd-Ag surface alloys on Ag surfaces
COMPUTATIONAL MATERIALS SCIENCE; Lugar: Amsterdam; Año: 2016 vol. 118 p. 316 - 324
R. SEDIVÁ; K. MASEK; M. E. PRONSATO; C. PISTONESI
Tungsten oxide nanowire on copper surfaces: a DFT model
RSC Advances; Año: 2016 vol. 6 p. 88463 - 88468
A. M. ROBINA; C. R. LUNA; A. JUAN; M. E. PRONSATO
A DFT Study of Hydrogen Storage in Zr(Cr0.5Ni0.5)2 Laves Phase
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY; Lugar: Amsterdam; Año: 2016 vol. 41 p. 2700 - 2710
R. E. AMBRUSI; C. R. LUNA; ALFREDO JUAN,; M. E. PRONSATO
DFT study of Rh-decorated pristine, B-doped and vacancy defected graphene for hydrogen adsorption
RSC Advances; Año: 2016 vol. 6 p. 83926 - 83941
P. BECHTHOLD; M. E. PRONSATO; C. PISTONESI
DFT study of CO adsorption on Pd-SnO2(110) surfaces
APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2015 vol. 347 p. 291 - 298
R. E. AMBRUSI; S. G. GARCÍA; M. E. PRONSATO
Formation of Ag nanowires on graphite stepped surfaces. A DFT study
APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2015 vol. 324 p. 710 - 717
S. SIMONETTI; A. DÍAZ COMPAÑY; M. E. PRONSATO; A. JUAN; G. BRIZUELA; A. LAM
Density functional theory based-study of 5-fluorouracil adsorption on beta-cristobalite (1 1 1) hydroxylated surface: The importance of H-bonding interactions
APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2015 vol. 359 p. 474 - 479
A. M. ROBINA; M. E. PRONSATO
Materials for hydrogen storage
Revista Argentina de Ingeniería; Lugar: CABA; Año: 2015 vol. 6 p. 41 - 47
V. ORAZI; J. S. ARDENGHI; P. BECHTHOLD; P. V. JASEN; M. E. PRONSATO; E. A. GONZÁLEZ
DFT study of benzene and CO co-adsorption on PtCo(111)
APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2014 vol. 289 p. 502 - 510
A. M. ROBINA; E. GERMÁN; M. E. PRONSATO; A. JUAN; V. MATOLÍN; I. MATOLINOVÁ
Electronic Structure and Bonding of Small Pd Clusters on Stoichiometric and Reduced SnO2(110) Surfaces
VACUUM; Lugar: Amsterdam; Año: 2014 vol. 106 p. 86 - 93
A. BECHTHOLD; S. ARDENGHI; V. CARDOSO SCHWINDT; E. A. GONZÁLEZ; P. V. JASEN; V. ORAZI; M. E. PRONSATO; A. JUAN
Benzene adsorption on PtCo(1 1 1): A DFT study.
APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2013 vol. 282 p. 17 - 27
C. PISTONESI; MARIA ESTELA PRONSATO; L. BUGYI; A. JUAN
The adsorption of CO on potassium doped molybdenum carbide surface: An ab-initio study
CATALYSIS TODAY; Año: 2012 vol. 181 p. 102 - 107
C. PISTONESI; M. E. PRONSATO; L. BUGYI; A. JUAN
Theoretical Model for CO Adsorption and Dissociation on Clean and K-Doped b-Mo2C Surfaces
JOURNAL OF PHYSICAL CHEMISTRY C; Lugar: Washington; Año: 2012 vol. 116 p. 24573 - 24581
M. E. PRONSATO; C. PISTONESI; A. JUAN; A. P. FARKAS; L. BUGYI; F. SOLYMOSI
Density Functional Theory Study of Methyl Iodide Adsorption and Dissociation on Clean and K-Promoted b-Mo2C Surfaces
JOURNAL OF PHYSICAL CHEMISTRY C; Año: 2011 vol. 115 p. 2798 - 2804
S. B. GESARI; M. E. PRONSATO; A. VISINTÍN; A. JUAN
Hydrogen Storage in AB2 Laves Phase (A: Zr, Ti; B: Ni, Mn, Cr, V): Binding Energy and Electronic Structure
JOURNAL OF PHYSICAL CHEMISTRY C; Año: 2010 vol. 114 p. 16832 - 16836
S. B. GESARI; M. E. PRONSATO; A. JUAN
Simulation of hydrogen trapping at defects in Pd
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY; Año: 2009 vol. 34 p. 3511 - 3518
C. PISTONESI; M. E. PRONSATO; A. JUAN
A DFT study of H adsorption on Pt (111) and Pt-Ru(111) surfaces
APPLIED SURFACE SCIENCE; Año: 2008 vol. 254 p. 5827 - 5830
M. ANDRÉS PELUSO; M. E. PRONSATO; JORGE SAMBETH; HORACIO THOMAS; GUIDO BUSCA
Catalytic combustion of ethanol on pure and alumina supported K-Mn oxides: An IR and flow reactor study
APPLIED CATALYSIS B-ENVIRONMENTAL; Año: 2008 vol. 78 p. 73 - 79
M. ANDRÉS PELUSO; LUIS GAMBARO; M. E. PRONSATO; DELIA GAZZOLI; HORACIO THOMAS; JORGE SAMBETH
Synthesis and catalytic activity of manganese dioxide (type OMS-2) for the abatement of oxygenated VOCs
CATALYSIS TODAY; Año: 2008 vol. 133 p. 487 - 492
E. GERMÁN; S. SIMONETTI; M. E. PRONSATO; G. BRIZUELA; A. JUAN
c-C5H5 on a Ni(111) surface: theoretical study of the adsorption, electronic structure and bonding
APPLIED SURFACE SCIENCE; Año: 2008 vol. 254 p. 5831 - 5836
S. B. GESARI; M. E. PRONSATO; A. JUAN
Effect of manganese on grain boundary segregation of sulfur in iron
APPLIED SURFACE SCIENCE; Año: 2007 vol. 253 p. 5939 - 5942
S. SIMONETTI; M. E. PRONSATO; G. BRIZUELA; A. JUAN
The CC pair in the vicinity of a bcc Fe bulk vacancy:
PHYSICA STATUS SOLIDI B-BASIC RESEARCH; Año: 2007 vol. 244 p. 610 - 618
S. B. GESARI; M. E. PRONSATO; A. JUAN
Quantum chemical study of sulfur and hydrogen at the S=5 BCC Fe grain boundary
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS; Año: 2004 vol. 65 p. 1337 - 1344
G. BRIZUELA; S. SIMONETTI; M. E. PRONSATO; A. JUAN
The adsorption of methylcyclopentane on Pt(1 1 1)
SURFACE SCIENCE; Año: 2004 vol. 556 p. 11 - 21
S. B. GESARI; M. E. PRONSATO; A. JUAN
EFFECTS OF SULFUR AND CARBON
ON THE ELECTRONIC STRUCTURE AND
EFFECTS OF SULFUR AND CARBON ON THE ELECTRONIC STRUCTURE AND BONDING OF A GRAIN BOUNDARY IN a-IRON
SURFACE REVIEW AND LETTERS; Año: 2004 vol. 11 p. 145 - 153
M. E. PRONSATO; C. PISTONESI; A. JUAN
Density functional study of H-Fe vacancy interaction in bcc iron
JOURNAL OF PHYSICS CONDENSED MATTER; Año: 2004 vol. 16 p. 6907 - 6916
M. E. PRONSATO; G. BRIZUELA; A. JUAN
The electronic structure of iron hydride
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS; Año: 2003 vol. 64 p. 593 - 597
S. B. GESARI; M. E. PRONSATO; A. JUAN
The electronic structure and bonding of hydrogen pairs and other impurities at grain boundaries
Current topics in colloid & and interface science; Año: 2003 vol. 6 p. 179 - 185
S. SIMONETTI; M. E. PRONSATO; G. BRIZUELA; A. JUAN
The electronic effect of carbon and hydrogen in an (1 1 1) edge dislocation core system in bcc iron
APPLIED SURFACE SCIENCE; Año: 2003 vol. 217 p. 56 - 67
S. B. GESARI; M. E. PRONSATO; A
Grain boundary segregation of hydrogen in bcc iron: electronic structure
SURFACE REVIEW AND LETTERS; Año: 2002 vol. 9 p. 1437 - 1442
A. JUAN; L. MORO; G. BRIZUELA; M. E. PRONSATO
The electronic structure and bonding of an hydrogen pair near a FCC Fe stacking fault
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY; Año: 2002 vol. 27 p. 333 - 338
S. B. GESARI; M. E. PRONSATO; A. JUAN
The elecronic structure and bonding of H pairs at S=5 BCC Fe grain boundary
APPLIED SURFACE SCIENCE; Año: 2002 vol. 187 p. 207 - 217
M. E. PRONSATO; G. BRIZUELA; A. JUAN
The electronic structure and location of H pairs in bcc Fe edge dislocation
APPLIED SURFACE SCIENCE; Año: 2001 vol. 173 p. 368 - 379
A. JUAN; S. GESARI; G. BRIZUELA; M. E. PRONSATO
A comparative study of the electronic structure of H pair near a/2(111) and a(010) dislocations in bcc Fe
APPLIED SURFACE SCIENCE; Año: 2001 vol. 182 p. 103 - 114
M. E. PRONSATO; L. MORO; G. BRIZUELA; A. JUAN
Modelado semiempírico de la interacción hidrógeno-hierro en dislocaciones de borde
REVISTA INFORMACION TECNOLOGICA DEL CHILE; Año: 2001 vol. 12 p. 65 - 70
M. E. PRONSATO; P. A. A. LAURA; A. JUAN
TRANSVERSE VIBRATIONS OF A RECTANGULAR MEMBRANE WITH DISCONTINUOUSLY VARYING DENSITY
JOURNAL OF SOUND AND VIBRATION; Año: 1999 vol. 222 p. 341 - 344
D. A. VEGA; S. A. VERA; P. A. A. LAURA; R. H. GUTIERREZ; M. E. PRONSATO
Transverse vibrations of an annular circular plate with free edges and an intermediate concentric circular support
JOURNAL OF SOUND AND VIBRATION; Año: 1999 vol. 222 p. 493 - 496