A. JUAN

The adsorption of ethyl formate on CaO: A DFT study

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS; Año: 2024 vol. 185

A. JUAN

Theoretical study of a Ti4 cluster interacting with B-doped and non-doped multivacancy graphene

PHYSICA B - CONDENSED MATTER; Año: 2024 vol. 683

A. JUAN

Contribution to ionospheric F2 region long-term trend studies through seasonal and diurnal pattern analysis

GLOBAL AND PLANETARY CHANGE; Año: 2023 vol. 229

A. JUAN

Simulations of Lattice Vibrations in a One-Dimensional Triatomic Network

Physchem; Año: 2023 vol. 3 p. 440 - 450

A JUAN

Estudio DFT de la estabilidad de la superficie polar ZnO (000-1)-o debido a la presencia de metales de transición (Co, Mn) como dopantes

MECANICA COMPUTACIONAL; Año: 2022 vol. 39 p. 1361 - 1368

BECHTHOLD, P.; ORAZI, V.; JUAN, A.; MARCHETTI, J.M.

A first-principles study of formic acid adsorption on CaO (001)

APPLIED SURFACE SCIENCE; Año: 2022 vol. 583

MOMBRÚ, ÁLVARO W.; FACCIO, RICARDO; ROMERO, MARIANO; JUAN, ALFREDO; PASA, ANDRÉ A.

Editorial: The Physical Chemistry of Organic-Inorganic Interfaces as a Key to Understanding Hybrid Nanomaterials

Frontiers in Chemistry; Año: 2022 vol. 10

YOOSEFIAN, MEHDI; MOGHANI, MARYAM ZERAATI; JUAN, ALFREDO

In silico evaluation of atazanavir as a potential HIV main protease inhibitor and its comparison with new designed analogs

COMPUTERS IN BIOLOGY AND MEDICINE; Año: 2022 vol. 145

GALLEGOS, MARÍA V.; REIMERS, WALTER G.; LUNA, C. ROMINA; DAMONTE, LAURA C.; SAMBETH, JORGE; MARCHETTI, JORGE; JUAN, ALFREDO

Theoretical analysis of Polyethylene terephthalate (PET) adsorption on Co and Mn-doped ZnO (000-1)

Molecular Catalysis; Año: 2022 vol. 531

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; Año: 2022 vol. 167

JIMÉNEZ, M.J.; LISSARRAGUE, M. SOSA; BECHTHOLD, P.; GONZÁLEZ, E.A.; JASEN, P.V.; JUAN, A.

Ethanol adsorption on Ni doped Mo2C(001): a theoretical study

TOPICS IN CATALYSIS; Año: 2022 vol. 65 p. 839 - 847

LUNA, CARLA ROMINA; REIMERS, WALTER GUILLERMO; AVENA, MARCELO JAVIER; JUAN, ALFREDO

Theoretical study of the octahedral substitution effect in delaminated pyrophyllite: physicochemical properties and applications

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Año: 2021 vol. 23 p. 14601 - 14607

PILOTTI, B.; PRIETO, G.; JUAN, A.; FACCIO, R.; BROITMAN, E.; DENNEHY, M.; TUCKART, W.R.

Bi2S3 and MoS2 Soft Coatings: A Comparative Study of Their Frictional Behavior Under Different Humidity Levels, Normal Loads, and Sliding Speeds

TRIBOLOGY LETTERS; Lugar: New York; Año: 2021 vol. 69

HOUACHE, MOHAMED S.E.; SANDOVAL, MARIO G.; SAFARI, REZA; GAZTAÑAGA, FRANCISCO; ESCUDERO, FEDERICO; HERNÁNDEZ-LAGUNA, ALFONSO; SAINZ-DÍAZ, CLARO IGNACIO; BOTTON, GIANLUIGI A.; JASEN, PAULA V.; GONZÁLEZ, ESTELA A.; JUAN, ALFREDO; BARANOVA, ELENA A.

Morphology alteration of nickel microstructures for glycerol electrooxidation

JOURNAL OF CATALYSIS; Año: 2021 vol. 404 p. 348 - 361

ORAZI, V.; JUAN, A.; GONZÁLEZ, E.A.; MARCHETTI, JORGE M.; JASEN, P.V.

DFT study of ethanol adsorption on CaO surface

APPLIED SURFACE SCIENCE; Año: 2020 vol. 500

YOOSEFIAN, MEHDI; ETMINAN, NAZANIN; JUAN, ALFREDO; MIRHAJI, ELNAZ

Ultra-low concentration protein detection based on phenylalanine-Pd/SWCNT as a high sensitivity nanoreceptor

RSC Advances; Lugar: Londres; Año: 2020 vol. 10 p. 2650 - 2660

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); Lugar: New York; Año: 2020 vol. 124 p. 2425 - 2435

YOOSEFIAN, MEHDI; MIRHAJI, ELNAZ; AFSHAR, MAHBOUBEH; JUAN, ALFREDO

Molecular dynamics simulations on interaction of ssDNA-causing DM1 with carbon and boron nitride nanotubes to inhibit the formation of CTG repeat secondary structures

APPLIED SURFACE SCIENCE; Año: 2020 vol. 524

ROMÁN, G.; GRAU, E. NOSEDA; COMPAÑY, A. DÍAZ; JUAN, A.; SOURROUILLE, L.; SIMONETTI, S.

Improvement on adsorption of amino-carboxy-functionalized graphene: A first-principles study

DIAMOND AND RELATED MATERIALS; Año: 2020 vol. 110

P. RODRÍGUEZ-ESTUPIÑÁN, S. LEGNOVERDE, S. SIMONETTI, L. GIRALDO, A. DÍAZ COMPAÑY, A. JUAN, J. C. MORENO-PIRAJÁN, E. BASALDELLA

Influence of functionalization, surface area and charge distribution of SBA15-based adsorbents on CO (II) and NI (II) removal from aqueous solutions

Journal of Environmental Chemical Engineering; Lugar: Amsterdam; Año: 2020 vol. 8 p. 103671 - 103682

ARDENGHI, JUAN SEBASTIÁN; JUAN, ALFREDO; ORAZI, VALERIA; SOURROUILLE, LUCAS

Zero energy mode for an electron in graphene in a perpendicular magnetic field with constant asymptotics

PHYSICA E; Año: 2019 vol. 109 p. 225 - 227

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

SCHVVAL, ANA B.; JUAN, ALFREDO; CABEZA, GABRIELA F.

Theoretical study of the role of the interface of Ag4 nanoclusters deposited on TiO2(110) and TiO2(101)

APPLIED SURFACE SCIENCE; Año: 2019 vol. 490 p. 343 - 351

GONZÁLEZ FÁ, ALEJANDRO; PIGNANELLI, FERNANDO; LÓPEZ-CORRAL, IGNACIO; FACCIO, RICARDO; JUAN, ALFREDO; DI NEZIO, MARÍA SUSANA

Detection of oxytetracycline in honey using SERS on silver nanoparticles

TRAC-TRENDS IN ANALYTICAL CHEMISTRY; Año: 2019 vol. 121

GRAU, E. NOSEDA; ROMÁN, G.; COMPAÑY, A. DÍAZ; BRIZUELA, G.; JUAN, A.; SIMONETTI, S.

Surface modification vs sorption strength: Study of nedaplatin drug supported on silica

APPLIED SURFACE SCIENCE; Año: 2019 vol. 465 p. 693 - 699

GRAU, E. NOSEDA; ROMÁN, G.; COMPAÑY, A. DÍAZ; BRIZUELA, G.; JUAN, A.; SIMONETTI, S.

Relevance of silica surface morphology in Ampyra adsorption. Insights from quantum chemical calculations

RSC Advances; Año: 2019 vol. 9 p. 4415 - 4421

LISSARRAGUE, M.H.S., JUAN, A., LANZ, C., LA ROCCA, B., PICASSO, A.

KINETIC ANALYSIS OF SECONDARY PRECIPITATION IN A HP40-Nb ALLOY

ACTA METALLURGICA SLOVACA; Lugar: Kosice; Año: 2019 vol. 25 p. 223 - 229

SPALTRO, AGUSTÍN; SIMONETTI, SANDRA; LAURELLA, SERGIO; RUIZ, DANILA; COMPAÑY, ANDRES DIAZ; JUAN, ALFREDO; ALLEGRETTI, PATRICIA

Adsorption of bentazone and imazapyc from water by using functionalized silica: Experimental and computational analysis

JOURNAL OF CONTAMINANT HYDROLOGY; Año: 2019 vol. 227

VERDINELLI, VALERIA; JUAN, ALFREDO; GERMAN, ESTEFANIA

Ruthenium decorated single walled carbon nanotube for molecular hydrogen storage: A first-principle study

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY; Año: 2019 vol. 44 p. 8376 - 8383

ROMÁN, G.; NOSEDA GRAU, E.; DÍAZ COMPAÑY, A.; JUAN, A.; SIMONETTI, S.

pH dependence of dacarbazine adsorption on activated carbon: DFT study

EPL (Europhysics Letters); Año: 2019 vol. 126

LUNA, C.R.; BECHTHOLD, P.; BRIZUELA, G.; JUAN, A.; PISTONESI, C.

The adsorption of CO, O 2 and H 2 on Li–doped defective (8,0) SWCNT: A DFT study

APPLIED SURFACE SCIENCE; Año: 2018 vol. 459 p. 201 - 207

ROMÁN, G.; NOSEDA GRAU, E.; DÍAZ COMPAÑY, A.; BRIZUELA, G.; JUAN, A.; SIMONETTI, S.

A first-principles study of pristine and Al-doped activated carbon interacting with 5-Fluorouracil anticancer drug

European Physical Journal E; Año: 2018 vol. 41

ESCUDERO, F.; ARDENGHI, J.S.; SOURROUILLE, L.; JASEN, P.; JUAN, A.

Formation of localized magnetic states in graphene in hollow-site adsorbed adatoms

SUPERLATTICES AND MICROSTRUCTURES; Año: 2018 vol. 113 p. 291 - 300

SPALTRO, AGUSTÍN; SIMONETTI, SANDRA; TORRELLAS, SILVIA ALVAREZ; RODRIGUEZ, JUAN GARCIA; RUIZ, DANILA; JUAN, ALFREDO; ALLEGRETTI, PATRICIA

Adsorption of bentazon on CAT and CARBOPAL activated carbon: Experimental and computational study

APPLIED SURFACE SCIENCE; Año: 2018 vol. 433 p. 487 - 501

SANDOVAL, M.; BECHTHOLD, P.; ORAZI, V.; GONZÁLEZ, E.A.; JUAN, A.; JASEN, P.V.

The role of Ga in the acetylene adsorption on PdGa intermetallic

APPLIED SURFACE SCIENCE; Año: 2018 vol. 435 p. 568 - 573

GONZÁLEZ FÁ, ALEJANDRO; LÓPEZ-CORRAL, IGNACIO; FACCIO, RICARDO; JUAN, ALFREDO; DI NEZIO, MARÍA SUSANA

Surface enhancement Raman spectroscopy and density functional theory study of silver nanoparticles synthetized with d-glucose

JOURNAL OF RAMAN SPECTROSCOPY; Año: 2018 vol. 49 p. 1756 - 1764

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

SPALTRO, AGUSTÍN; PILA, MATÍAS; SIMONETTI, SANDRA; ÁLVAREZ-TORRELLAS, SILVIA; RODRÍGUEZ, JUAN GARCÍA; RUIZ, DANILA; COMPAÑY, ANDRES DÍAZ; JUAN, ALFREDO; ALLEGRETTI, PATRICIA

Adsorption and removal of phenoxy acetic herbicides from water by using commercial activated carbons: experimental and computational studies

JOURNAL OF CONTAMINANT HYDROLOGY; Año: 2018 vol. 218 p. 84 - 93

SIMONETTI, S.; TORTORELLA, E. DIEZ; BRIZUELA, G.; JUAN, A.

Selectivity of Pd-Functionalized PtNi(111) Surface: cis -3-Hexenoic Acid Adsorption

CATALYSIS LETTERS; Año: 2017 vol. 147 p. 58 - 61

GONZÁLEZ FÁ, ALEJANDRO J.; JUAN, ALFREDO; DI NEZIO, MARÍA S.

Synthesis and Characterization of Silver Nanoparticles Prepared with Honey: The Role of Carbohydrates

ANALYTICAL LETTERS; Año: 2017 vol. 50 p. 877 - 888

ARDENGHI, JUAN SEBASTIÁN; JUAN, ALFREDO; ESCUDERO, FEDERICO; SOURROUILLE, LUCAS

Analytic solution for gauged Dirac-Weyl equation in (2 + 1)-dimensions

EUROPHYSICS LETTERS; Año: 2017 vol. 118

COMPAÑY, A. DÍAZ; JUAN, A.; BRIZUELA, G.; SIMONETTI, S.

5-fluorouracil adsorption on hydrated silica: density functional theory based-study

ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY; Año: 2017 vol. 23 p. 321 - 325

MILBERG, BRIAN; JUAN, ALFREDO; IRIGOYEN, BEATRIZ

Redox behavior of a low-doped Pr-CeO2(111) surface. A DFT+U study

APPLIED SURFACE SCIENCE; Año: 2017 vol. 401 p. 206 - 217

ESCUDERO, F.; ARDENGHI, J.S.; JASEN, PAULA; JUAN, A.

Impurity effects in the magnetic oscillations on doped graphene with Zeeman splitting

PHYSICA B - CONDENSED MATTER; Año: 2017 vol. 518 p. 39 - 46

GONZÁLEZ FÁ, ALEJANDRO J.; ORAZI, VALERIA; GONZÁLEZ, ESTELA A.; JUAN, ALFREDO; LÓPEZ-CORRAL, IGNACIO

DFT study of β-D-glucose adsorption on single-walled carbon nanotubes decorated with platinum. A bonding analysis

APPLIED SURFACE SCIENCE; Año: 2017 vol. 423 p. 542 - 548

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

MERLINO, A. ROBINA; LUNA, C.R.; JUAN, A.; PRONSATO, M.E.

A DFT study of hydrogen storage in Zr(Cr0.5Ni0.5)2 Laves phase

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY; Año: 2016 vol. 41 p. 2700 - 2710

ARDENGHI, J.S.; BECHTHOLD, P.; JASEN, P.; GONZALEZ, E.; JUAN, A.

Electronic properties of Cantor random box distribution of impurities in graphene

SUPERLATTICES AND MICROSTRUCTURES; Año: 2016 vol. 89 p. 398 - 408

LÓPEZ-CORRAL, IGNACIO; PIRIZ, SEBASTIÁN; FACCIO, RICARDO; JUAN, ALFREDO; AVENA, MARCELO

A van der Waals DFT study of PtH2 systems absorbed on pristine and defective graphene

APPLIED SURFACE SCIENCE; Año: 2016 vol. 382 p. 80 - 87

VERDINELLI, V.; JUAN, A.; MARCHETTI, J.M.; GERMÁN, E.

A microscopic level insight into Pt doped TiZn (001) surface for hydrogen energy storage usage

RSC Advances; Año: 2016 vol. 6 p. 73566 - 73575

AMBRUSI, RUBÉN E.; LUNA, C. ROMINA; JUAN, ALFREDO; PRONSATO, MARÍA E.

DFT study of Rh-decorated pristine, B-doped and vacancy defected graphene for hydrogen adsorption

RSC Advances; Año: 2016 vol. 6 p. 83926 - 83941

SIMONETTI, S.; COMPAÑY, A. DÍAZ; BRIZUELA, G.; JUAN, A.

β-Cristobalite (001) surface as 4-formaminoantipyrine adsorbent: First principle study of the effect on adsorption of surface modification

COLLOIDS AND SURFACES B-BIOINTERFACES; Año: 2016 vol. 148 p. 287 - 292

K. LUND, K.G LYNN; M. WEBER; C. MACCHI; A. SOMOZA; A. JUAN; M.A. OKUNIEWSKI

Impurity migration and effects on vacancy formation enthalpy in polycrystalline depleted Uranium

JOURNAL OF NUCLEAR MATERIALS; Lugar: Amsterdam; Año: 2015 vol. 466 p. 343 - 350

V. CARDOSO SCHWINDT, J. S. ARDENGHI, P. BECHTHOLD, A. JUAN, B. SETINA BATIC, M. JENKO, E. A. GONZÁLEZ, P.V. JASEN

Electronic Structure and soft magnetic properties of Se/FeSiAl (110) films

APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2015 vol. 354 p. 401 - 407

HERNÁN SEITZ, ROMINA LUNA, ALFREDO JUAN, GRACIELA BRIZUELA, BEATRIZ IRIGOYEN

Propylene Adsorption On a Non-Stoichiometric VSbO4(110) Surface

JOURNAL OF PHYSICAL CHEMISTRY C; Lugar: Washington; Año: 2015 vol. 119 p. 4967 - 4975

GERVASONI, J.L., JENKO, M., PONIKU, B., BELIč, I., JUAN, A.

Effects of the electron-hole pair in Auger and X-ray Photoemission Spectroscopy from surfaces of Fe-Si

NUCLEAR INSTRUMENTS AND METHODS IN PHYSICS RESEARCH B - BEAM INTERACTIONS WITH MATERIALS AND ATOMS; Lugar: Amsterdam; Año: 2015 vol. 354 p. 313 - 316

J. S. ARDENGHI, P. BECHTHOLD, E. A. GONZÁLEZ, P. V. JASEN, A. JUAN

Valley properties of doped graphene in a magnetic field

EUROPEAN PHYSICAL JOURNAL B - CONDENSED MATTER; Lugar: Berlin; Año: 2015 vol. 88 p. 471 - 479

PIRILLO, S., LUNA, C.R., LÓPEZ-CORRAL, I., JUAN, A., AVENA, M.J.

Geometrical and Electronic Properties of Hydrated Sodium Montmorillonite and Tetracycline Montmorillonite from DFT Calculations

JOURNAL OF PHYSICAL CHEMISTRY C; Lugar: Washington; Año: 2015 vol. 119 p. 16082 - 16088

ARIANA R. MERLINO, E. PRONSATO, C. LUNA, A. JUAN

A DFT Study of Hydrogen Storage in Zr(Cr0.5Ni0.5)2 Laves Phase

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY; Lugar: Amsterdam; Año: 2015

ORIANA D´ALESSANDRO, DELFINA GARCÍA PINTOS, ALFREDO JUAN, BEATRIZ IRIGOYEN AND JORGE SAMBETH

A DFT study of phenol adsorption on a low doping Mn?Ce composite oxide model

APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2015

S. SIMONETTI, A. DÍAZ COMPAÑY, E. PRONSATO, A. JUAN, G. BRIZUELA, A. LAM

Density functional theory based-study of 5-fluorouracil adsorption on β-cristobalite (111) hydroxylated surface: the importance of H-bonding interactions

APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2015

SIMONETTI, E. DIEZ TORTORELLA, G. BRIZUELA AND A. JUAN

Characterization of the PtNi(111) surface and their influence on the selectivity of C=C and COOH bonds: a DFT study

APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2015 vol. 353 p. 1164 - 1169

VERDINELLI, VALERIA; GERMAN, ESTEFANIA; LUNA, CARLA; MARCHETTI, JORGE; VOLPE, MARÍA; JUAN, ALFREDO

A Theoretical Study of Hydrogen Adsorption on Ru-decorated (8,0) Single-Walled Carbon Nanotube

JOURNAL OF PHYSICAL CHEMISTRY C; Lugar: Washington; Año: 2014 vol. 118 p. 27672 - 27680

V. CARDOSO SCHWINDT, J. S. ARDENGHI, P. BECHTHOLD, E. A. GONZÁLEZ, P. V. JASEN, A. JUAN, B. SETINA BATIC, M. JENKO

Selenium Adsorption at Different Coverages on Fe(100) and Fe(111): A DFT Study

APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2014 vol. 315

ESTEFANÍA GERMÁN , VALERIA VERDINELLI , CARLA R. LUNA, ALFREDO JUAN AND DAVID SHOLL

A Theoretical Study of the Effect of Zr-, Nb-Doped and Vacancy-like Defects on H Desorption on MgH2 (110)

JOURNAL OF PHYSICAL CHEMISTRY C; Lugar: Washington; Año: 2014 vol. 118 p. 4231 - 4237

A. ROBINA, E. GERMÁN, M. E. PRONSATO, A. JUAN, I. MATOLÍNOVÁ, V. MATOLÍN

Electronic structure and bonding of small Pd Clusters on the stoichiometric and reduced

VACUUM; Lugar: Amsterdam; Año: 2014 vol. 106 p. 86 - 93

.S. ARDENGHI, P. BECHTHOLD, E. GONZALEZ, P. JASEN, A. JUAN

Statistical repulsion/attraction of electrons in graphene in a magnetic field

PHYSICA B - CONDENSED MATTER; Lugar: Amsterdam; Año: 2014 vol. 433 p. 28 - 36

BECHTHOLD, P., ARDENGHI, J.S., NAGEL, O., JUAN, A., GONZÁLEZ, E.A., JASEN, P.V.

Hydrogen adsorption on PdGa(100), (111) and (-1,-1,-1 ) surfaces: A DFT study

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY; Lugar: Amsterdam; Año: 2014 vol. 39 p. 2093 - 2103

GERMÁN, E., LUNA, C., MARCHETTI, J., JASEN, P., MACCHI, C., JUAN, A.

A DFT study of dopant (Zr, Nb) and vacancies on the dehydrogenation on MgH2 (001)

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY; Lugar: Amsterdam; Año: 2014 vol. 39 p. 1732 - 1739

E. GERMAN, I. LÓPEZ-CORRAL, S. PIRILLO, A. JUAN AND G. BRIZUELA

A DFT Study of Cyclopropane Adsorption on Pt(111). Electronic Structure and Bonding

APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2014 vol. 303 p. 324 - 330

PIRILLO, S. , LÓPEZ-CORRAL, I , GERMÁN, E., JUAN, A.

Density functional study of acrolein adsorption on Pt (111)

VACUUM; Lugar: Amsterdam; Año: 2014 vol. 99 p. 259 - 264

BECHTHOLD, P., ARDHENGI, J.S., JUAN, A., GONZÁLEZ, E.A., JASEN, P.V.

CO adsorption on PdGa(1 0 0), (1 1 1) and (over(-1,-1,-1) surf aces: A DFT study

APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2014 vol. 315 p. 467 - 477

BECHTHOLD, P., ARDENGHI, J.S., JUAN, A., GONZÁLEZ, E.A., JASEN, P.V.

Ballistic transport properties in pristine/doped/pristine graphene junctions

SUPERLATTICES AND MICROSTRUCTURES; Lugar: Amsterdam; Año: 2014 vol. 72 p. 325 - 335

BECHTHOLD, P., ARDENGHI, J.S., JUAN, A., GONZÁLEZ, E.A., JASEN, P.V.

Dynamical diffusion and renormalization group equation for the Fermi velocity in doped graphene

PHYSICA B - CONDENSED MATTER; Lugar: Amsterdam; Año: 2014 vol. 452 p. 92 - 101

FERNÁNDEZ-WERNER, L., FACCIO, R., JUAN, PARDO, MONTENEGRO, B, MOMBRÚ, Á.W.

Ultrathin (0 0 1) and (1 0 0) TiO2(B) sheets: Surface reactivity and structural properties

APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2014 vol. 290 p. 180 - 187

LÓPEZ-CORRAL, I., IRIGOYEN, B. , JUAN, A

Bonding in PdH2 and Pd2H2 systems adsorbed on carbon nanotubes: Implications for hydrogen storage

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY; Lugar: Amsterdam; Año: 2014 vol. 39 p. 8780 - 8790

PINTOS, D.G. , JUAN, A. , IRIGOYEN, B.

Density functional theory study of water interactions on Mn-doped CeO 2(1 1 1) surface

APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2014 vol. 313, p. 784 - 793

GARCÍA PINTOS, D. , JUAN, A. , IRIGOYEN, B.

Mn-Doped CeO2: DFT+U study of a catalyst for oxidation reactions

JOURNAL OF PHYSICAL CHEMISTRY C; Lugar: Washington; Año: 2013 vol. 117 p. 18063 - 18073

ARDENGHI, J.S. , JUAN, A. , CASTAGNINO, M.

The observable-state model and nonrenormalizable theories

INTERNATIONAL JOURNAL OF MODERN PHYSICS A; Lugar: London, UK; Año: 2013 vol. 28 p. 1350016 - 1350017

PIRILLO, S. , LÓPEZ-CORRAL, I. , GERMÁN, E. , JUAN, A.

Density functional study of acrolein adsorption on Pt (111)

VACUUM; Lugar: Amsterdam; Año: 2013 vol. 99 p. 259 - 264

BECHTHOLD, P , ARDENGHI, S , SCHWINDT, V.C , GONZÁLEZ, E.A. , JASEN, P.V , ORAZI, V , PRONSATO, M.E., JUAN, A.

Benzene adsorption on PtCo(1 1 1): A DFT study

APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2013 vol. 282 p. 17 - 24

LUNA, C.R. , GERMÁN, E. , MACCHI, C. , JUAN, A. , SOMOZA, A.

On the perfect MgH2(-Nb,-Zr) systems and the influence of vacancy-like defects on their structural properties. A self-consistent first principle calculations study of the electron and positron parameters

JOURNAL OF ALLOYS AND COMPOUNDS; Lugar: Amsterdam; Año: 2013 vol. 556 p. 188 - 197

BECHTHOLD, P., JASEN, P.V., ARDENGHI, J.S., GONZÁLEZ, E.A., JUAN, A.

Ab initio study of CO adsorption on PdGa(1 1 0)

COMPUTATIONAL MATERIALS SCIENCE; Lugar: Amsterdam; Año: 2013 vol. 71 p. 192 - 196

C. LUNA; C. MACCHI; A. JUAN; A. SOMOZA

Vacancy clustering in pure metals: some first principle calculations of positron lifetimes and momentum distributions

Journal of Physics: Conference Series; Lugar: Bristol; Año: 2013 vol. 443 p. 1 - 4

J.S. ARDENGHI; P. BECHTHOLD; E. GONZALEZ; P. JASEN; A. JUAN

Statistical repulsion/attraction of electrons in graphene in a magnetic field

PHYSICA B - CONDENSED MATTER; Lugar: Amsterdam; Año: 2013

HERNÁN SEITZ, ALFREDO JUAN, GRACIELA BRIZUELA, BEATRIZ IRIGOYEN

The Effect of Metal-Cation Vacancies on Vanadium Antimonate Surface Properties. A Theoretical Study

JOURNAL OF PHYSICAL CHEMISTRY C; Lugar: Washington; Año: 2013 vol. 117 p. 20548 - 20556

P. BECHTHOLD, P. JASEN, E. GONZAÌLEZ, AND A. JUAN

Hydrogen Adsorption on PdGa(110): A DFT Study

JOURNAL OF PHYSICAL CHEMISTRY C; Lugar: Washington; Año: 2012 vol. 116 p. 17518 - 17524

E. GONZÁLEZ, P. JASEN, J.M. MARCHETTI, G. BRIZUELA, A. JUAN

Density functional and bonding study of hydrogen and platinum adsorption on B2-FeTi (111) slab

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY; Lugar: Amsterdam; Año: 2012 vol. 37 p. 2661 - 2668

CAROLINA PISTONESI, MARÍA ESTELA PRONSATO, LÁSZLÓ BUGYI, A. JUAN

The adsorption of CO on potassium doped molybdenum carbide surface: an ab-initio study

CATALYSIS TODAY; Lugar: Amsterdam; Año: 2012 vol. 181 p. 102 - 107

I.LÓPEZ-CORRAL, E. GERMÁN, A. JUAN, M. A. VOLPE, G. P. BRIZUELA

Hydrogen adsorption on graphene decorated with palladium dimers: a bonding study

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY; Lugar: Amsterdam; Año: 2012 vol. 37 p. 6653 - 6665

LÓPEZ-CORRAL, I., DE CELIS, J., JUAN, A., IRIGOYEN, B.

DFT study of H 2 adsorption on Pd-decorated single walled carbon nanotubes with C- vacancies

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY; Lugar: Amsterdam; Año: 2012 vol. 37 p. 10156 - 10164

PIRILLO, S. , LÓPEZ-CORRAL, I., GERMÁN, E., JUAN, A.

The adsorption of acrolein on a Pt (1 1 1): A study of chemical bonding and electronic structure

APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2012 vol. 263 p. 79 - 85

CANTO, G. , DZIB L, , LANZ, C. , JUAN, A. , BRIZUELA, G. , SIMONETTI, S

Carbon monoxide adsorption on a nickel iron surface: Bonding and electronic structure computational study

MOLECULAR PHYSICS; Lugar: Londres; Año: 2012 vol. 110 p. 113 - 129

S. SIMONETTI, S. ULACCO, G. BRIZUELA, A. JUAN

Computational study of cis-oleic acid adsorption on Ni(1 1 1) surface

APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2012 vol. 258 p. 5903 - 5908

HERNAN SEITZ, ESTEFANÍA GERMÁN, ALFREDO JUAN, BEATRIZ IRIGOYEN

Adsorption of ammonia on vanadium-antimony mixed oxides

APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2012 vol. 258 p. 3617 - 3623

PISTONESI, C. , PRONSATO, M.E. , BUGYI, L. , JUAN, A.

Theoretical model for CO adsorption and dissociation on clean and K-doped Mo2C surfaces

JOURNAL OF PHYSICAL CHEMISTRY C; Lugar: Washington; Año: 2012 vol. 116 p. 24573 - 24581

DELFINA GARCIA PINTOS, ALFREDO JUAN, BEATRIZ IRIGOYEN

Oxygen vacancy formation on the Ni/Ce0.75Zr0.25O2(111) surface. A DFTDU study

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY; Lugar: Amsterdam; Año: 2012 vol. 37 p. 14937 - 14944

E. A. GONZÁLEZ, P. V. JASEN, M. SANDOVAL, P. BECHTHOLD, A. JUAN, B. SETINA BATIC, M. JENKO

Density Functional Study of Se Adsorption on Fe(110)

APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2011 vol. 257 p. 6878 - 6883

F. COVA, D. GARCIA PINTOS, B. IRIGOYEN, A. JUAN

A First-Principles Modeling of Ni Interactions on CeO2-ZrO2 Mixed Oxide Solid solutions

JOURNAL OF PHYSICAL CHEMISTRY C; Lugar: New York; Año: 2011 vol. 115 p. 7456 - 7465

I.LÓPEZ-CORRAL, E. GERMÁN, A. JUAN, M. A. VOLPE, G. P. BRIZUELA

DFT Study of Hydrogen Adsorption on Palladium Decorated Graphene

JOURNAL OF PHYSICAL CHEMISTRY C; Lugar: New york; Año: 2011 vol. 115 p. 7456 - 7465

PISTONESI, C., PRONSATO, M.; JUAN, A.; FARKAS, A., BUGYI, LAZLO; SOLYMOSI, F.

A DFT Study of Methyl Iodide Adsorption and Dissociation on Clean and K-Promoted Mo2C Surfaces

JOURNAL OF PHYSICAL CHEMISTRY C; Lugar: New York; Año: 2011 vol. 115 p. 2798 - 2804

J.M. MARCHETTI, E. GONZÁLEZ, P. JASEN, G. BRIZUELA, A. JUAN

Interaction of Hydrogen and Platinum over a B2 FeTi (110) slab

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY; Lugar: Amsterdam; Año: 2011 vol. 36 p. 9037 - 9044

C.E. ZUBIETA, E. GERMAN, I. LOPEZ CORRAL. A. JUAN, P.C. SCHULZ, P.V. MESSINA, M. DENNEHY

Theoretical and experimental studies on the adsorption of intercalant dyes on anatase and rutile

COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS; Lugar: Amsterdam; Año: 2011 vol. 386 p. 71 - 78

GANCHENKOVA, M.G., BORODIN, V.A., BINYUKOVA, S.YU., GONZALEZ, E.A., JASEN, P.V., JUAN, A

Advanced materials for hydrogen storage based on iron-palladium intermetallic alloys

INORGANIC MATERIALS; Lugar: Berlin; Año: 2011 vol. 2 p. 172 - 175

S. SIMONETTI, A. DÍAZ COMPAÑY, G. BRIZUELA, A. JUAN

A theoretical study of cisplatin adsorption on silica

APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2011 vol. 258 p. 1052 - 1057

I. L ÓPEZ-CORRAL, E. GERMÁN, M. A. VOLPE, G. BRIZUELA, A. JUAN

Tight-binding study of hydrogen adsorption on palladium decorated graphene and carbon nanotubes

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY; Lugar: Amsterdam; Año: 2010 vol. 35 p. 2377 - 2384

ESTEFANÍA GERMÁN; IGNACIO LÓPEZ-CORRAL; ALFREDO JUAN; GRACIELA BRIZUELA

A theoretical study of cyclopentene (c-C5H8) adsorption on Ge (001) 2x1 and on dimer vacancies on the surface: electronic structure and bonding

APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2010 vol. 256 p. 6237 - 6245

D. REY SARAVIA D, S. SIMONETTI, G. BRIZUELA, A. JUAN

The effects of a hydrogen pair in the electronic structure of the FCC Iron containing a vacancy

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY; Lugar: Amsterdam; Año: 2010 vol. 35 p. 5957 - 5962

E. GERMÁN, I. LÓPEZ-CORRAL, A. JUAN, G. BRIZUELA

Cyclopentene (c-C5H8) adsorption on Si(001) and on dimer vacancies of the Si(001) surface. A theoretical study of the electronic structure and chemical bonding

COMPUTATIONAL MATERIALS SCIENCE; Lugar: Amsterdam; Año: 2010 vol. 49 p. 888 - 894

PAULA JASEN; ESTELA GONZÁLEZ; GRACIELA BRIZUELA; ALFREDO JUAN

A bonding study of CO-benzene co-adsorption on Rh(111)

JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL; Lugar: Amsterdam; Año: 2010 vol. 323 p. 23 - 27

C. PISTONESI, A. JUAN, A. P. FARKAS AND F. SOLYMOSI

Effects of potassium on the adsorption of methanol on â-Mo2C(001) surface

SURFACE SCIENCE; Lugar: Amsterdam; Año: 2010 vol. 604 p. 914 - 919

S. SIMONETTI, C. LANZ, G. BRIZUELA, A. JUAN

Study of the 1.25Cr-1Mo-0.25V steel microstructure after a carburization phenomenon

MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING; Lugar: Amsterdam; Año: 2010 vol. 527 p. 5755 - 5760

C. R. LUNA, C. MACCI, A. JUAN A. SOMOZA

Electronic and bonding properties of MgH2-Nb containing vacancies

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY; Lugar: Amsterdam; Año: 2010 vol. 35 p. 12421 - 21427

S. B. GESARI, E. PRONSATO, A. JUAN, A. VISITIN

Hydrogen storage in AB2 Laves phase (A = Zr, Ti; B= Ni, Mn, Cr, V): Binding energy and electronic structure

JOURNAL OF PHYSICAL CHEMISTRY C; Lugar: New York; Año: 2010 vol. 114 p. 16832 - 16836

S. SIMONETTI, G. BRIZUELA, A. JUAN

Multiple hydrogen location in the vacancy region of a FCC iron nickel based-alloy

MOLECULAR PHYSICS; Lugar: Londres; Año: 2010 vol. 108 p. 79 - 86

HERNÁN MILBERG, ALFREDO JUAN, NORMA AMADEO, BEATRIZ IRIGOYEN

The influence of Mg on the C adsorption on Ni(100). A DFT study

JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL; Lugar: Amsterdam; Año: 2010 vol. 315 p. 171 - 177

S. SIMONETTI, G. BRIZUELA, A. JUAN

Study of the adsorption, electronic structure and bonding of C2H4 on the FeNi(111) surface

APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2010 vol. 256 p. 6459 - 6465

S. GESARI, E. PRONSATO, A. JUAN

Simulation of hydrogen trapping at defects in Pd

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY; Lugar: Amsterdam; Año: 2009 vol. 34 p. 3511 - 3518

JASEN P, GONZALEZ E, ARDENGHI S. A. JUAN

The hydrogen interaction in an FCC FePd alloy with a vacancy

PHYSICA SCRIPTA - (Print); Lugar: Londres; Año: 2009 vol. 79 p. 45702 - 45708

JASEN P, GONZALEZ E, GONZALEZ G, L. MORO. A. JUAN

Hydrogen and carbon interaction in a FeNi alloy with a vacancy

PHYSICA STATUS SOLIDI B-BASIC RESEARCH; Lugar: Berlin; Año: 2009 vol. 246 p. 1275 - 1285

JASEN P, GONZALEZ E, P. BECHTHOLD, E. LUNA, G. BRIZUELA, A. JUAN

The changes in the electronic structure of B2 FeAl alloy with antisite and absorbed hydrogen a Fe

PHYSICA B - CONDENSED MATTER; Lugar: Amsterdam; Año: 2009 vol. 404 p. 4216 - 4220

E. GERMAN, I. LOPEZ CORRAL, A. JUAN, G. BRIZUELA

A theoretical study of cyclopentene (c-C5H8) dehydrogenation to cyclopentadienyl anion (c-C5H5-) on Ni (111)

JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL; Lugar: Amsterdam; Año: 2009 vol. 314 p. 749 - 755

D. REY SARAVIA D, S. SIMONETTI, G. BRIZUELA, A. JUAN

Comparative study of H-atom location, electronic and chemical bonding in ideal and vacancy containing- fcc iron

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY; Lugar: Amsterdam; Año: 2009 vol. 34 p. 8302 - 8307

S. SIMONETTI, G. BRIZUELA, A. JUAN

A computational study of the hydrogen embrittlement phenomena in an iron nickel based alloy

MATERIALS SCIENCE-POLAND; Lugar: Varsovia; Año: 2009 vol. 27 p. 595 - 601

ESTELA A. GONZ¨¢LEZ, PAULA V. JASEN, JORGE PIERINI, ALFREDO JUAN, GRACIELA BRIZUELA

The co-adsorption of benzene and Co on Co(0001)

SURFACE REVIEW AND LETTERS; Lugar: Singapur; Año: 2009 vol. 16 p. 749 - 755

PAULA JASEN; ESTELA GONZÁLEZ; ROMINA LUNA; GRACIELA BRIZUELA; ALFREDO JUAN

The hydrogen effect in the electronic structure and bonding of the B2 FeA alloy with a Fe vacancy

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY; Lugar: Amsterdam; Año: 2009 vol. 34 p. 9591 - 9595

E. GERMÁN; S. SIMONETTI; E. PRONSATO; A. JUAN; G. BRIZUELA

c-C5H5 on a Ni(111) Surface: Theoretical Study of the Adsorption, Electronic Structure and Bonding

APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2008 vol. 254 p. 5831 - 5836

S. MESSINA; A. JUAN; S. LARRONDO; B. IRIGOYEN; N. AMADEO

Theoretical study of the influence of cation vacancies on the catalytic properties of vanadium antimonate

APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2008 vol. 254 p. 5837 - 5843

S. SIMONETTI; L MORO; G BRIZUELA; A. JUAN

A computational study of the carburization phenomena in a Fe?Ni alloy

JOURNAL OF PHYSICS - D (APPLIED PHYSICS); Lugar: London; Año: 2008 vol. 41 p. 125006 - 125013

E. GERMAN; I. LOPEZ-CORRAL; A. JUAN; G. BRIZUELA

A bonding study of cyclopentene (c-C5H8) adsorption on Ni(1 1 1) surface

JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL; Lugar: Amsterdam; Año: 2008 vol. 290 p. 23 - 29

C. PISTONESI; E. PRONSATO; A. JUAN

A DFT study of H adsorption on Pt(111) and Pt-Ru (111) surfaces

APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2008 vol. 254 p. 5827 - 5830

C. PISTONESI; A. JUAN; A.P. FARKAS; F. SOLYMOSI

DFT study of methanol adsorption and dissociation on b-Mo2C(001)

SURFACE SCIENCE; Lugar: Amsterdam; Año: 2008 vol. 602 p. 2206 - 2211

S. SIMONETTI; G. BRIZUELA; A. JUAN

COMPARATIVE STUDY OF Fe?C?H INTERACTION NEAR LINE AND POINT DEFECTS IN IRON STRUCTURES

SURFACE REVIEW AND LETTERS; Lugar: Singapore; Año: 2008 vol. 15 p. 221 - 226

J.M. MARCHETTI; E. GONZÁLEZ; P. JASEN; G. BRIZUELA; A. JUAN

Hydrogen adsorption and diffusion on a Pt (111) cluster

SURFACE REVIEW AND LETTERS; Lugar: Singapore; Año: 2008 vol. 109 p. 319 - 327

L. MORO; G. GONZALEZ; G. BRIZUELA; A. JUAN; S. SIMONETTI

Influence of chromium and vanadium in the mechanical resistance of steels

MATERIALS CHEMISTRY AND PHYSICS; Lugar: Amsterdam; Año: 2008 vol. 109 p. 212 - 216

P. JASEN; G. GONZALEZ; E. GONZALEZ; L. MORO; A. JUAN

The effect of carbon interaction on the electronic structure of FeNi alloy with stacking fault

PHYSICA STATUS SOLIDI B-BASIC RESEARCH; Lugar: Berlin; Año: 2008 vol. 245 p. 2771 - 2778

C. R. LUNA; E. GONZÁLEZ; P. JASEN; A. JUAN

Adsorption of hydrogen on b-Ga2O3(100): a theoretical study

SURFACE REVIEW AND LETTERS; Lugar: Singapore; Año: 2007 vol. 14 p. 79 - 86

C. PISTONESI; A. JUAN; B. IRIGOYEN; N. AMADEO

Theoretical and experimental study of methane steam reforming reactions over nickel catalyst

APPLIED SURFACE SCIENCE; Lugar: Holanda; Año: 2007 vol. 253 p. 4427 - 4437

S. SIMONETTI; M. E. PRONSATO; G. BRIZUELA; A. JUAN

The C–C pair in the vicinity of a bcc Fe bulk vacancy: electronic structure and bonding

PHYSICA STATUS SOLIDI B-BASIC RESEARCH; Lugar: Berlin; Año: 2007 vol. 244 p. 610 - 618

S. SIMONETTI; D. DAMIANI; A. JUAN; G. BRIZUELA

THE ADSORPTION AND BONDING OF H2S ON THE á-FeOOH(110) SURFACE

SURFACE REVIEW AND LETTERS; Lugar: Singapore; Año: 2007 vol. 24 p. 209 - 217

S. B. GESARI; M. E. PRONSATO; A. JUAN

Effect of manganese on grain boundary segregation of sulfur in iron

APPLIED SURFACE SCIENCE; Lugar: Holanda; Año: 2007 vol. 253 p. 5939 - 5942

S. SIMONETTI; G. BRIZUELA; A. JUAN

Computational study of the C–C interaction in the bcc Fe(001) inner plane containing a vacancy

Materials Science-Poland; Lugar: Wroclaw; Año: 2007 vol. 25 p. 885 - 898

E. GONZÁLEZ; P. JASEN; G. BRIZUELA; A. JUAN; R. NIEMINEN

The effect of interstitial hydrogen on the electronic structure of the B2 FeAl alloy

PHYSICA STATUS SOLIDI B-BASIC RESEARCH; Lugar: Berlin; Año: 2007 vol. 244 p. 3684 - 3694

P. JASEN; E. GONZÁLEZ; G, BRIZUELA; G. GONZALEZ; A. JUAN; O. NAGEL

A theoretical study of the electronic structure and bonding of the monoclinic phase ofMg2NiH4

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY; Lugar: Amsterdam; Año: 2007 vol. 32 p. 4943 - 4948

P. JASEN; E. GONZÁLEZ; A. JUAN; G. BRIZUELA

Benzene and NO on a Ru(0 0 1) surface: Electronic structure and bonding

APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2006 vol. 252 p. 2108 - 2114

S. SIMONETTI; P. JASEN; E. GONZÁLEZ; A. JUAN; G. BRIZUELA

A bonding study of c-C5H8 adsorption on Pt(1 1 1)

APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2006 vol. 252 p. 7515 - 7522

J. M. MARCHETTI; S.SEGUI; J. L. GERVASONI; A. JUAN; J. P. ABRIATA

Volume and heat of solution of hydrogen in rare earths from proton screening charges

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS; Lugar: Amsterdam; Año: 2006 vol. 67 p. 1692 - 1696

S. GESARI; B. IRIGOYEN; A. JUAN

Segregation of H, C and B to Σ= 5 (0 1 3) α -Fe grain boundary: A theoretical study

APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2006 vol. 253 p. 1939 - 1945

S. SIMONETTI; D. DAMIANI; G. BRIZUELA; A. JUAN

SULFUR ADSORPTION ON THE GOETHITE (110) SURFACE

SURFACE REVIEW AND LETTERS; Lugar: Singapore; Año: 2006 vol. 13 p. 1 - 9

P. JASEN; E. GONZÁLEZ; N. J. CASTELLANI; A. JUAN

A theoretical study of H absorption at a Fe(110)–Pd(100) interface and Fe–Pd alloys

JOURNAL OF MATERIALS SCIENCE; Lugar: Amsterdam; Año: 2005 vol. 40 p. 2775 - 2782

E. GONZÁLEZ; P. JASEN; N. J. CASTELLANI; A. JUAN

Theoretical study of hydrogen adsorption on FePd face-centered cubic alloy surfaces

PHYSICAL REVIEW B - CONDENSED MATTER AND MATERIALS PHYSICS; Lugar: Ridge, New York; Año: 2005 vol. 71 p. 2354221 - 2354227

S. GESARI; B. IRIGOYEN; A. JUAN

BINDING ENERGY OF HYDROGEN TO MIXED AND SCREW DISLOCATION

SURFACE REVIEW AND LETTERS; Lugar: Sigapore; Año: 2005 vol. 12 p. 227 - 232

S. SIMONETTI; C. PISTONESI; G. BRIZUELA; A. JUAN

The multiple hydrogen location near a α-Fe vacancy

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS; Lugar: Amsterdam; Año: 2005 vol. 66 p. 1240 - 1246

B. IRIGOYEN; A. JUAN; S. LARRONDO; N. AMADEO

The electronic structure of vanadium antimonate

CATALYSIS TODAY; Lugar: Amsterdam; Año: 2005 vol. 107 p. 40 - 45

E. GONZÁLEZ; P. JASEN; A. JUAN; S. COLLINS; M. BALTANÁS; A. BONIVARDI

Hydrogen adsorption on â-Ga2O3 (100)surface containing oxygen vacancies

SURFACE SCIENCE; Lugar: Amsterdam; Año: 2005 vol. 575 p. 171 - 180

S. SIMONETTI; L. MORO; G. BRIZUELA; A. JUAN

The interaction of carbon and hydrogen in á-Fe divacancy

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY; Lugar: Amsterdam; Año: 2005 vol. 31 p. 1318 - 1325

P. A. A. LAURA, S. SIMONETTI, A. JUAN

A superposition of exponential ? trigonometric functions: generalized solutions for several forced vibrations problems of a one degree of freedom system

JOURNAL OF SOUND AND VIBRATION; Lugar: Amsterdam; Año: 2004 vol. 272 p. 1134 - 1136

R. HOFFMANN AND A. JUAN

Hydrogen on the Fe(110) surface and near bulk bcc Fe vacancies: A comparative bonding study

SURFACE SCIENCE; Lugar: Amsterdam; Año: 1999 vol. 421 p. 1 - 16

S. GESARI. B. IRIGOYEN AND A. JUAN

Structural study of MoO3 and its crystal faces

QUíMICA NOVA; Lugar: San Pablo; Año: 1997 vol. 20 p. 99 - 103

S. VERA, D. VEGA AND A. JUAN

A computed aided modelling analogue or lattice dynamics

EUROPEAN JOURNAL OF PHYSICS; Lugar: Londres; Año: 1997 vol. 18 p. 398 - 403

A. JUAN, G. BRIZUELA

Planck´s Constant Determination Using a Light Bulb

AMERICAN JOURNAL OF PHYSICS; Lugar: New York; Año: 1996 vol. 64 p. 819 - 821

S. GESARI, B. IRIGOYEN AND A. JUAN

An experiment on the liquid-vapour equilibrium for water

AMERICAN JOURNAL OF PHYSICS; Lugar: New York; Año: 1996 vol. 64 p. 1165 - 1167

G. BRIZUELA, A. JUAN

Using MathCAD in Physical Chemistry

JOURNAL OF CHEMICAL EDUCATION; Lugar: Washington; Año: 1993 vol. 70 p. 256 - 257

G. BRIZUELA, A. JUAN

An easy method for measuring CO2 molecular weight

THE PHYSICS TEACHER; Lugar: New York; Año: 1992 vol. 30 p. 408 - 409