PAREDES OLIVERA, P

Ab-initio molecular dynamics simulations of the reactivity of MoS2 towards F2 molecules: Implications for etching processes

APPLIED SURFACE SCIENCE; Lugar: Amsterdam; Año: 2022 vol. 607

PAREDES OLIVERA, P

Oxidative etching of S-vacancy defective MoS2monolayer upon reaction with O2

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Lugar: Cambridge; Año: 2022 vol. 23 p. 10225 - 10235

PAREDES-OLIVERA, PATRICIA A.

Reactive Force Field-Based Molecular Dynamics Simulations on the Thermal Stability of Trimesic Acid on Graphene: Implications for the Design of Supramolecular Networks

ACS Applied Nano Materials; Año: 2021 vol. 4 p. 9241 - 9253

FARIGLIANO, LUCAS M.; PAREDES-OLIVERA, PATRICIA A.; PATRITO, EDUARDO M.

Initial Steps of Oxidative Etching of MoS 2 Basal Plane Induced by O 2

JOURNAL OF PHYSICAL CHEMISTRY C; Año: 2020 vol. 124 p. 13177 - 13186

ARISNABARRETA, N.; PAREDES-OLIVERA, P.; COMETTO, F. P.; PATRITO, E. M.

Growth of Layered Copper–Alkanethiolate Frameworks from Thin Anodic Copper Oxide Films

JOURNAL OF PHYSICAL CHEMISTRY C; Año: 2019 vol. 123 p. 17283 - 17295

F. A. SORIA; WEIWEI ZHANG; P. PAREDES OLIVERA; ADRI VAN DUIN; E. M. PATRITO

Si/C/H ReaxFF Reactive Potential for Silicon Surfaces Grafted with Organic Molecules

JOURNAL OF PHYSICAL CHEMISTRY C; Lugar: Washington; Año: 2018 vol. 122 p. 23515 - 23527

ARISNABARRETA, NICOLAS; P. PAREDES OLIVERA; COMETTO, FERNANDO P.; E. M. PATRITO

Growth of Layered Copper-Alkanethiolate Frameworks from Thin Anodic Copper Oxide Films

JOURNAL OF PHYSICAL CHEMISTRY B - (Print); Lugar: Washington; Año: 2018

JACKELIN, DANIELA; EUTI, ESTEBAN; PEREZ, MANUEL; ARISNABARRETA, NICOLAS; COMETTO, F; P.PAREDES OLIVERA; E. M. PATRITO

A pH-Sensitive Supramolecular Switch Based on Mixed Carboxylic Acid Terminated Self-Assembled Monolayers on Au(111)

LANGMUIR; Lugar: Washington; Año: 2016

COMETTO, F; RUANO, G; F. A. SORIA; C. A. CALDERON; P. PAREDES OLIVERA; G. ZAMPIERI; E. M. PATRITO

Thermal and Chemical Stability of n-Hexadecanethiol Monolayers on Au(111) in O2 Environments

Lugar: Amsterdam; Año: 2016 vol. 215 p. 313 - 325

EUTI, ESTEBAN M.; VÉLEZ-ROMERO, PATRICIO; LEIVA, EZEQUIEL P. M.; MACAGNO, VICENTE A.; PAREDES-OLIVERA, PATRICIA A.; PATRITO, E. MARTÍN; COMETTO, FERNANDO P.

The Role of Tris(2-carboxyethyl)phosphine Reducing Agent in the Controlled Formation of α,ω-Alkanedithiols Monolayers on Au(111) with Monocoordinated and Bicoordinated Configurations

LANGMUIR; Año: 2016 vol. 32 p. 9428 - 9436

F. A. SORIA; PATRICIA PAREDES OLIVERA; E. M. PATRITO

Chemical Stability toward O2 and H2O of Si(111) Grafted with -CH3, -CH2CH2CH3, -CHCHCH3, and -CCCH3

Lugar: Washington; Año: 2015 vol. 119 p. 284 - 295

JACKELIN, DANIELA; EUTI, ESTEBAN; PEREZ, MANUEL; ARISNABARRETA, NICOLAS; COMETTO, F; P.PAREDES OLIVERA; E. M. PATRITO

A pH-Sensitive Supramolecular Switch Based on Mixed Carboxylic Acid Terminated Self-Assembled Monolayers on Au(111)

Lugar: Washington; Año: 2015

COMETTO, F; C. A. CALDERON; M. MORÁN; RUANO, G; H. ASCOLANI; G. ZAMPIERI; P. PAREDES OLIVERA; E. M. PATRITO

Formation, characterization, and stability of methaneselenolate monolayers on au(111): An electrochemical high-resolution photoemission spectroscopy and DFT study

Lugar: Washington; Año: 2014 vol. 30 p. 3754 - 3763

COMETTO, F; C. A. CALDERON; MORAN, M; RUANO; P. PAREDES OLIVERA; E. M. PATRITO

FORMATION, CHARACTERIZATION AND STABILITY OF METHYL SELENOLATE MONOLAYERS ON Au(111). AN ELECTROCHEMICAL, HIGH RESOLUTION PHOTOEMISSION SPECTROSCOPY AND DFT STUDY

Lugar: Washington; Año: 2014 vol. 30 p. 3754 - 3763

F. A. SORIA; E. M. PATRITO; P. PAREDES OLIVERA

Tailoring the surface reactivity of silicon surfaces by partial halogenation

Lugar: Washington; Año: 2013 p. 18021 - 18030

COMETTO, F; E. M. PATRITO; P. PAREDES OLIVERA; G. ZAMPIERI; H. ASCOLANI

Electrochemical, High-Resolution Photoemission Spectroscopy and vdW-DFT Study of the Thermal Stability of Benzenethiol and Benzeneselenol Monolayers on Au(111)

Lugar: Washington; Año: 2012 vol. 38 p. 13624 - 13635

F. A. SORIA; E. M. PATRITO; P. PAREDES OLIVERA

Oxidation of Hydrogenated Si(111) by a Radical Propagation Mechanism

Lugar: Washington; Año: 2012

COMETTO, F; C. A. CALDERON; BERDAKIN, M; MACAGNO, V; P. PAREDES OLIVERA; E. M. PATRITO

ELECTROCHEMICAL DETECTION OF THE THERMAL STABILITY OF π-ALKANETHIOLATE MONOLAYERS ON AU(111).

Lugar: Amsterdam; Año: 2012 vol. 61 p. 132 - 139

F. A. SORIA; E. M. PATRITO; P. PAREDES OLIVERA

On the mechanism of silicon activation by halogen atoms

Año: 2011 p. 2613 - 2624

M. F. JUAREZ; F. A. SORIA; E. M. PATRITO; P. PAREDES OLIVERA

The role of the organic layer functionalization in the formation of silicon/organic layer/metal junctions with coinage metals

Año: 2011 vol. 13 p. 21411 - 21422

F. P. COMETTO; V. A. MACAGNO; P. PAREDES OLIVERA; E. M. PATRITO; H. ASCOLANI; G. ZAMPIERI

Decomposition of methylthiolate monolayers on Au(111) prepared from dimethyl disulfide in solution phase

Año: 2010 vol. 114 p. 10183 - 10194

C. A. CALDERON; C. OJEDA; MACAGNO, V. A; P. PAREDES OLIVERA; E. M. PATRITO

Interaction of oxidized copper surfaces with alkanethiols in organic and aqueous solvents. the mechanism of Cu2O reduction

Año: 2010 vol. 114 p. 3945 - 3957

M. F. JUAREZ; E. M. PATRITO; P. PAREDES OLIVERA

Quantum Mechanical Investigation of the Influence of the Local Environment on the Vibrational Properties of Hydrogenated Si(111)

Año: 2009 vol. 113 p. 681 - 690

M. F. JUAREZ; E. M. PATRITO; P. PAREDES-OLIVERA

Quantum Mechanical Investigation of the Influence of the Local Environment on the Vibrational Properties of Hydrogenated Si(111)

JOURNAL OF PHYSICAL CHEMISTRY C; Lugar: Washington DC; Año: 2008 vol. 113 p. 681 - 690

M. F. JUAREZ; F. A. SORIA; E. M. PATRITO; P. PAREDES OLIVERA

Influence of Subsurface Oxidation on the Structure, Stability, and Reactivity of Grafted Si(111) Surfaces

JOURNAL OF PHYSICAL CHEMISTRY C; Lugar: Washington DC; Año: 2008 vol. 112 p. 14867 - 14877

CAROT, M.L; MACAGNO, V. A; P. PAREDES OLIVERA; PATRITO, E. M.

Structure of Mixed Carboxylic Acid Terminated Self-Assembled Monolayers: Experimental and Theoretical Investigation

Año: 2007 vol. 111 p. 4294 - 4304

A. FERRAL; E. M. PATRITO; P. PAREDES OLIVERA

STRUCTURE AND BONDING OF ALKANETHIOLS ON CU(111) AND CU(100)

Año: 2006 vol. 110 p. 17050 - 17062

COMETTO, F; P. PAREDES OLIVERA; V. MACAGNO; E. M. PATRITO

DENSITY FUNCTIONAL THEORY STUDY OF THE ADSORPTION OF ALKANETHIOLS ON Cu(111), Ag(111), AND Au(111) IN THE LOW AND HIGH COVERAGE REGIMES

Año: 2005 vol. 109 p. 21737 - 21748

PATRITO, E. M; COMETTO, F; PAREDES OLIVERA, P

Quantum Mechanical Investigation of Thiourea Adsorption on Ag(111) Considering Electric Field and Solvent Effects

Año: 2004 vol. 108 p. 15755 - 15769

FERRAL, A; PAREDES OLIVERA, P; MACAGNO, V; PATRITO, E. M.

CHEMISORPTION AND PHYSISORPTION OF ALKANETHIOLS ON Cu(111). A QUANTUM MECHANICAL INVESTIGATION

Año: 2003 vol. 525 p. 85 - 99

PATRITO, E. M; PAREDES OLIVERA, P

ADSORPTION OF HYDRATED HYDROXIDE AND HYDRONIUM IONS ON Ag(1 1 1). A QUANTUM MECHANICAL INVESTIGATION

Año: 2003 vol. 527 p. 149 - 162

P. PAREDES OLIVERA; A. FERRAL; E. M. PATRITO

Theoretical investigation of hydrated hydronium ions on Ag(111)

Año: 2001 vol. 105 p. 7227 - 7238

P. PAREDES OLIVERA; E. M. PATRITO; H. SELLERS

Adsorption of sulfate, bisulfate and sulfuric acid on silver surfaces: A theoretical study

Lugar: Amsterdam; Año: 1998 vol. 418 p. 376 - 394

E. M. PATRITO; P. PAREDES OLIVERA

Adsorption of carbonate species on silver. I. Nature of the surface bond

Lugar: Amsterdam; Año: 1998 vol. 44 p. 1237 - 1245

P. PAREDES OLIVERA; E. M. PATRITO

Adsorption of carbonate species on silver. II. Electric fields effects

Lugar: Amsterdam; Año: 1998 vol. 44 p. 1247 - 1253

P. PAREDES OLIVERA; E. M. PATRITO; H. SELLERS; E. SHUSTOROVICH

Thermodynamic and ab initio calculations of properties of chemisorbed ions and application to adsorbed sulfur oxide anions

Lugar: Amsterdam; Año: 1997 vol. 79 p. 275 - 287

E. M. PATRITO; P. PAREDES OLIVERA; H. SELLERS

On the nature of the SO2-4/Ag(111) and SO2-4/Au(111) surface bonding

Lugar: Amsterdam; Año: 1997 vol. 380 p. 264 - 282

E. M. PATRITO; P. PAREDES OLIVERA; HARRELL SELLERS

TANGO-95. An electronic structure program for modeling chemisorption

Lugar: Amsterdam; Año: 1996 vol. 388 p. 209 - 219

H. SELLERS; E. M. PATRITO; P. PAREDES OLIVERA

Thermodynamic and ab initio calculations of chemisorption energies of ions

Lugar: Amsterdam; Año: 1996 vol. 356 p. 222 - 232

P. PAREDES OLIVERA; E. M. PATRITO; H. SELLERS

Direct synthesis of methanol over metallic catalysts

Lugar: Amsterdam; Año: 1995 vol. 327 p. 330 - 357

P. PAREDES OLIVERA; G. ESTIÚ; E. A. CASTRO; A. J. ARVÍA

A quantum chemistry description of carbon monoxide and water adsorbates on single-crystal rhodium and platinum clusters

Lugar: Amsterdam; Año: 1994 vol. 369 p. 131 - 144

P.PAREDES OLIVERA; E. M. PATRITO; HARRELL SELLERS

Hydrogen peroxide syntesis over metallic catalyst

Lugar: Amsterdam; Año: 1994 vol. 313 p. 25 - 40

E. M. PATRITO; P. PAREDES OLIVERA; H. SELLERS

The nature of chemisorbed hydroxyl radicals

Lugar: Amsterdam; Año: 1994 vol. 306 p. 447 - 458

P. PAREDES OLIVERA; E. P. M. LEIVA; E. A. CASTRO; A. J. ARVÍA

Semi-empirical calculations of the vibrational frequency of carbon monoxide adsorbed on noble metal single-crystal surfaces

Lugar: Amsterdam; Año: 1993 vol. 351 p. 65 - 79

P. PAREDES OLIVERA; G. ESTIÚ; E. A. CASTRO; A. J. ARVÍA

Theoretical study of the influence of the applied electric potential and the co-adsorption of water on the vibrational properties of carbon monoxide adsorbed on Rh(111)

Lugar: Amsterdam; Año: 1990 vol. 210 p. 393 - 403

P. PAREDES OLIVERA; G. ESTIÚ; E. A. CASTRO; A. J. ARVÍA

A quantum chemistry approach to the electrooxidation of Co adsorbed on Rh(111) cluster surfaces

Lugar: Amsterdam; Año: 1990 vol. 210 p. 393 - 403