INVESTIGADORES
DEL POPOLO Mario Gabriel
artículos
LÓPEZ MARTÍ, JESÚS MARÍA; ENGLISH, NIALL J; DEL POPOLO, MARIO G
Elucidating Mysteries of Phase-Segregated Membranes: Mobile-Lipid Recruitment Facilitates Pores’ Passage to the Fluid Phase
PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Año: 2018
KLUG, JOAQUÍN; TRIGUERO, CARLES; DEL PÓPOLO, MARIO G.; TRIBELLO, GARETH A.
Using Intrinsic Surfaces to Calculate the Free-Energy Change When Nanoparticles Adsorb on Membranes
JOURNAL OF PHYSICAL CHEMISTRY B - (Print); Año: 2018 vol. 122 p. 6417 - 6422
VIA, MATÍAS A.; DEL PÓPOLO, MARIO G.; WILKE, NATALIA
Negative Dipole Potentials and Carboxylic Polar Head Groups Foster the Insertion of Cell-Penetrating Peptides into Lipid Monolayers
LANGMUIR; Año: 2018 vol. 34 p. 3102 - 3111
VIA, MATÍAS A.; KLUG, JOAQUÍN; WILKE, NATALIA; MAYORGA, LUIS S.; DEL PÓPOLO, M.G.
The interfacial electrostatic potential modulates the insertion of cell-penetrating peptides into lipid bilayers
PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Año: 2018 vol. 20 p. 5180 - 5189
GALASSI, VANESA V.; DEL POPOLO, MARIO G.; FISCHER, THOMAS M.; WILKE, NATALIA
Molecular Explanation for the Abnormal Flux of Material into a Hot Spot in Ester Monolayers
JOURNAL OF PHYSICAL CHEMISTRY B - (Print); Año: 2017 vol. 121 p. 5621 - 5632
GROSSI, JOÁS; KOHANOFF, JORGE J.; ENGLISH, NIALL J.; BRINGA, EDUARDO M.; DEL PÓPOLO, MARIO G.
On the Mechanism of the Iodide-Triiodide Exchange Reaction in a Solid-State Ionic Liquid
JOURNAL OF PHYSICAL CHEMISTRY B - (Print); Año: 2017 vol. 121 p. 6436 - 6441
KLUG, JOAQUÍN; MASONE, DIEGO; DEL PÓPOLO, MARIO G.
Molecular-level insight into the binding of arginine to a zwitterionic Langmuir monolayer
RSC Advances; Año: 2017 vol. 7 p. 30862 - 30869
RODOLFO D. PORASSO; N. M. ALE; F. CIOCCO ALOIA; D. MASONE; M. G. DEL PÓPOLO; A. BEN ALTABEF; A. GOMEZ-ZAVAGLIA; S. B. DIAZ; J. A. VILA
Interaction of Glycine, Lysine, Proline and Histidine with Dipalmitoylphosphatidylcholine Lipid Bilayers: a Theoretical and Experimental Study
RSC Advances; Año: 2015 vol. 5 p. 43537 - 43546
NICOLA GIRI; MARIO DEL PÓPOLO; GAVIN MELAUGH; REBECCA L. GREENAWAY; KLAUS RÄTZKE; TÖNJES KOSCHINE; MARGARIDA F. COSTA GOMES; LAURE PISON; ANDREW I. COOPER; STUART L. JAMES
Liquids with permanent microporosity
NATURE; Lugar: Londres; Año: 2015 vol. 527 p. 216 - 220
GAVIN MELAUGH; NICOLA GIRI; CHRISTINE E. DAVIDSON; STUART L. JAMES; MARIO G. DEL PÓPOLO
Designing and understanding permanent microporosity in liquids
PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Lugar: CAMBRIDGE; Año: 2014 vol. 16 p. 9422 - 9431
DIEGO MASONE; FACUNDO CIOCCO ALOIA; MARIO G. DEL PÓPOLO
H-bond refinement for electron transfer membrane-bound protein-protein complexes: cytochrome c oxidase and cytochrome c552
COMPUTATIONAL BIOLOGY AND CHEMISTRY; Lugar: Amsterdam; Año: 2013 vol. 47 p. 31 - 36
P. BALLONE; M. G. DEL PÓPOLO; S. BOVIO; A. PODESTÀ; P. MILANI; N. MANINI
Nano-indentation of a room-temperature ionic liquid film on silica: a computational experiment
PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Lugar: CAMBRIDGE; Año: 2012 vol. 14 p. 2475 - 2482
NICOLA GIRI ; CHRISTINE E. DAVIDSON ; GAVIN MELAUGH ; MARIO G. DEL PÓPOLO ; JAMES T. A. JONES ; TOM HASELL; ANDREW I. COOPER; PETER N. HORTON; MICHAEL B. HURSTHOUSE; STUART L. JAMES
Alkylated organic cages: from porous crystals to neat liquids
Chemical Science; Lugar: Londres; Año: 2012 vol. 3 p. 2153 - 2157
CLAUDIO J. MARGULIS; HARSHA V. R. ANNAPUREDDY; PABLO M. DE BIASE; DAVID COKER; JORGE KOHANOFF; MARIO G. DEL PÓPOLO
Dry Excess Electrons in Room-Temperature Ionic Liquids
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY; Lugar: Washington; Año: 2011 vol. 113 p. 20186 - 20193
CROMIE S., DEL POPOLO M.G., BALLONE P.
Interaction of Room Temperature Ionic Liquid Solutions with a Cholesterol Bilayer
JOURNAL OF PHYSICAL CHEMISTRY B - (Print); Año: 2009 vol. 113 p. 11642 - 11648
S BOVIO, A PODESTÀ, P MILANI, P BALLONE AND M G DEL PÓPOLO
Nanometric ionic-liquid films on silica: a joint experimental and computational study
JOURNAL OF PHYSICS CONDENSED MATTER; Año: 2009 vol. 21 p. 4241181 - 42411810
S. R. T. CROMIE, M. G. DEL POPOLO AND P. BALLONE
Amphiphilic Character and Aggregation Properties of Small Cholesterol Islands on Water: A Simulation Study
JOURNAL OF PHYSICAL CHEMISTRY B - (Print); Año: 2009 vol. 113 p. 4674 - 4687
R. CABRIOLU, M. G. DEL PÓPOLO AND P. BALLONE
Melting of a tetrahedral network model of silica
PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Año: 2009 vol. 11 p. 10820 - 10823
MANINI N., CESARATTO M., DEL POPOLO M.G. , BALLONE P.
Mesophases in Nearly 2D Room-Temperature Ionic Liquids
JOURNAL OF PHYSICAL CHEMISTRY B - (Print); Año: 2009 vol. 113 p. 15602 - 15609
M. G. DEL PÓPOLO AND P. BALLONE
Melting behavior of an idealized membrane model
JOURNAL OF CHEMICAL PHYSICS; Año: 2008 vol. 128 p. 247051 - 2470510
M. G. DEL PPOLO, C. L. MULLAN, J. D. HOLBREY, C. HARDACRE AND P. BALLONE
Ion Association in [bmim][PF6]/Naphthalene Mixtures: An Experimental and Computational Study
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY; Año: 2008 vol. 130 p. 7032 - 7041
CARLOS PINILLA, M. G. DEL PÓPOLO, JORGE KOHANOFF, AND R. M. LYNDEN-BELL
Polarization Relaxation in an Ionic Liquid Confined between Electrified Walls
JOURNAL OF PHYSICAL CHEMISTRY B - (Print); Año: 2007 vol. 111 p. 4877 - 4884
P. BALLONE, C. PINILLA, J. KOHANOFF, AND M. G. DEL PÓPOLO
Neutral and Charged 1-Butyl-3-methylimidazolium Triflate Clusters: Equilibrium Concentration in the Vapor Phase and Thermal Properties of Nanometric Droplets
JOURNAL OF PHYSICAL CHEMISTRY B - (Print); Año: 2007 vol. 111 p. 4938 - 4950
M. G. DEL PÓPOLO, C. PINILLA, AND P. BALLONE
Local and semilocal density functional computations for crystals of 1-alkyl-3-methyl-imidazolium salts
JOURNAL OF CHEMICAL PHYSICS; Año: 2007 vol. 126 p. 1447051 - 14470511
MARIO G. DEL POPOLO, JORGE KOHANOFF, RUTH M. LYNDEN-BELL AND CARLOS PINILLA
Clusters, Liquids, and Crystals of Dialkyimidazolium Salts. A Combined Perspective from ab Initio and Classical Computer Simulations
ACCOUNTS OF CHEMICAL RESEARCH; Año: 2007 vol. 40 p. 1156 - 1164
RUTH M. LYNDEN-BELL, MARIO G. DEL PÓPOLO, TRISTAN G. A. YOUNGS, JORGE KOHANOFF, CHRISTOF G. HANKE, JASON B. HARPER AND CARLOS C. PINILLA
Simulations of Ionic Liquids, Solutions, and Surfaces
ACCOUNTS OF CHEMICAL RESEARCH; Año: 2007 vol. 40 p. 1138 - 1145
PRADO C.E.R., DEL POPOLO M.G., YOUNGS T.G.A., KOHANOFF J., LYNDEN-BELL R.M.
Molecular electrostatic properties of ions in an ionic liquid
MOLECULAR PHYSICS; Año: 2006 vol. 104 p. 2477 - 2483
DEL POPOLO M.G., KOHANOFF J., LYNDEN-BELL R.M.
Solvation structure and transport of acidic protons in ionic liquids: A first-principles simulation study
JOURNAL OF PHYSICAL CHEMISTRY B - (Print); Año: 2006 vol. 110 p. 8798 - 8803
BALLONE P., DEL POPOLO M.G.
Simple models of complex aggregation: Vesicle formation by soft repulsive spheres with dipolelike interactions
PHYSICAL REVIEW E - STATISTICAL PHYSICS, PLASMAS, FLUIDS AND RELATED INTERDISCIPLINARY TOPICS; Año: 2006 vol. 73 p. 314041 - 314049
YOUNGS T.G.A., DEL POPOLO M.G., KOHANOFF J.
Development of complex classical force fields through force matching to ab initio data: Application to a room-temperature ionic liquid
JOURNAL OF PHYSICAL CHEMISTRY B - (Print); Año: 2006 vol. 110 p. 5697 - 5707
LYNDEN-BELL R.M., DEL POPOLO M.
Simulation of the surface structure of butylmethylimidazolium ionic liquids
PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Año: 2006 vol. 8 p. 949 - 954
DEL POPOLO M.G., LEIVA E.P.M., MARISCAL M., SCHMICKLER W.
On the generation of metal clusters with the electrochemical scanning tunneling microscope
SURFACE SCIENCE; Año: 2005 vol. 597 p. 133 - 155
PINILLA C., DEL POPOLO M.G., LYNDEN-BELL R.M., KOHANOFF J.
Structure and dynamics of a confined ionic liquid. topics of relevance to dye-sensitized solar cells
JOURNAL OF PHYSICAL CHEMISTRY B - (Print); Año: 2005 vol. 109 p. 17922 - 17927
MARCELO MARISCAL, CLAUDIO F NARAMBUENA, MARIO G DEL PÓPOLO AND EZEQUIEL P M LEIVA
Effects of tip structure on the generation of metal clusters by an STM tip: a way to control the orientation of nanocrystallites?
NANOTECHNOLOGY; Año: 2005 vol. 16 p. 974 - 980
DEL POPOLO M.G., LYNDEN-BELL R.M., KOHANOFF J.
Ab initio molecular dynamics simulation of a room temperature ionic liquid
JOURNAL OF PHYSICAL CHEMISTRY B - (Print); Año: 2005 vol. 109 p. 5895 - 5902
LYNDEN-BELL R.M., KOHANOFF J., DEL POPOLO M.G.
Simulation of interfaces between room temperature ionic liquids and other liquids
FARADAY DISCUSSIONS; Año: 2005 vol. 129 p. 57 - 67
LUQUE N.B., DEL POPOLO M.G., LEIVA E.P.M.
Monte Carlo simulation of cluster growth in surface defects induced by the tip of a scanning tunnelling microscope
SURFACE SCIENCE; Año: 2004 vol. 571 p. 319 - 324
YAN T.Y., BURNHAM C.J., DEL POPOLO M.G., VOTH G.A.
Molecular dynamics simulation of ionic liquids: The effect of electronic polarizability
JOURNAL OF PHYSICAL CHEMISTRY B - (Print); Año: 2004 vol. 108 p. 11877 - 11881
ROJAS M.L., DEL POPOLO M.G., LEIVA E.P.M.
Monte Carlo simulation of properties of monolayers and metal islands adsorbed on metallic (111) surfaces
LANGMUIR; Año: 2004 vol. 20 p. 4279 - 4288
DEL POPOLO M.G., VOTH G.A.
On the structure and dynamics of ionic liquids
JOURNAL OF PHYSICAL CHEMISTRY B - (Print); Año: 2004 vol. 108 p. 1744 - 1752
NARAMBUENA C.F., DEL POPOLO M.G., LEIVA E.P.M.
On the reasons for stepwise changes in the tunneling current across metallic nanogaps
NANO LETTERS (PRINT); Año: 2003 vol. 3 p. 1633 - 1637
DEL POPOLO M.G., LEIVA E.P.M., MARISCAL M., SCHMICKLER W.
The basis for the formation of stable metal clusters on an electrode surface
NANOTECHNOLOGY; Año: 2003 vol. 14 p. 1009 - 1013
DEL POPOLO M.G., LEIVA E.P.M., KLEINE H., MEIER J., STIMMING U., MARISCAL M., SCHMICKLER W.
A combined experimental and theoretical study of the generation of palladium clusters on Au(111) with a scanning tunnelling microscope
ELECTROCHIMICA ACTA; Año: 2003 vol. 48 p. 1287 - 1294
N. B. LUQUE, M. G. DEL POPOLO AND E.P.M. LEIVA
Computational studies on defect nanostructuring
Journal of the Argentine Chemical Society; Año: 2003 vol. 91 p. 65 - 72
C. F. NARAMBUENA, M. G. DEL POPOLO, E.P.M. LEIVA
Computer simulations of distance changes in nanogaps
Journal of the Argentine Chemical Society; Año: 2003 vol. 91 p. 55 - 62
GIMENEZ M.C., DEL POPOLO M.G., LEIVA E.P.M.
Kinetic Monte Carlo study of electrochemical growth in a heteroepitaxial system
LANGMUIR; Año: 2002 vol. 18 p. 9087 - 9094
DEL POPOLO M., LEIVA E., KLEINE H., MEIER J., STIMMING U., MARISCAL M., SCHMICKLER W.
Generation of palladium clusters on Au(111) electrodes: Experiments and simulations
APPLIED PHYSICS LETTERS; Año: 2002 vol. 81 p. 2635 - 2637
ROJAS M.I., AMILIBIA G.E., DEL POPOLO M.G., LEIVA E.P.M.
2D-drop model applied to the calculation of step formation energies on a (111) substrate
SURFACE SCIENCE; Año: 2002 vol. 499 p. 135 - 140
GIMENEZ M.C., DEL POPOLO M.G., LEIVA E.P.M., GARCIA S.G., SALINAS D.R., MAYER C.E., LORENZ W.J.
Theoretical considerations of electrochemical phase formation for an ideal Frank-van der Merwe system - Ag on Au(111) and Au(100)
JOURNAL OF THE ELECTROCHEMICAL SOCIETY; Año: 2002 vol. 149 p. 109 - 116
DEL POPOLO M.G., LEIVA E.P.M., SCHMICKLER W.
Model calculations for copper clusters on Au(111) surfaces
JOURNAL OF ELECTROANALYTICAL CHEMISTRY - (Print); Año: 2002 vol. 518 p. 84 - 90
DEL POPOLO M.G., LEIVA E.P.M., SCHMICKLER W.
On the stability of electrochemically generated nanoclusters - A computer simulation
Angewandte Chemie; Año: 2001 vol. 40 p. 4674 - 4676
ROJAS M.I., DEL POPOLO M.G., LEIVA E.P.M.
Simulation study of Pd submonolayer films on Au(hkl) and Pt(hkl) and their relationship to underpotential deposition
LANGMUIR; Año: 2000 vol. 16 p. 9539 - 9546
ROJAS M.I., SANCHEZ C.G., DEL POPOLO M.G., LEIVA E.P.M.
Erratum: An embedded atom approach to underpotential deposition phenomena (vol 421, pg 59, 1999)
SURFACE SCIENCE; Año: 2000 vol. 453 p. 225 - 228
LEIVA E.P.M., DEL POPOLO M.G., SCHMICKLER W.
Changes in surface stress caused by the adsorption of an epitaxial metal monolayer
CHEMICAL PHYSICS LETTERS; Año: 2000 vol. 320 p. 393 - 397
C. G. SÁNCHEZ, M. G. DEL PÓPOLO AND E. P. M. LEIVA
An embedded atom approach to underpotential deposition phenomena
SURFACE SCIENCE; Año: 1999 vol. 453 p. 225 - 228
M. C. GIMÉNEZ, M. G. DEL PÓPOLO AND E. P. M. LEIVA
Monte Carlo simulation for the formation and growth of low dimensionality phases during underpotential deposition of Ag on Au(100)
ELECTROCHIMICA ACTA; Año: 1999 vol. 45 p. 699 - 712
LUIS REINAUDI, MARIO DEL POPOLO AND EZEQUIEL LEIVA
Work function calculation for thick metal slabs with local pseudopotentials
SURFACE SCIENCE; Año: 1997 vol. 372 p. 309 - 314
MARIO DEL PÓPOLO AND EZEQUIEL LEIVA
Embedded atom method study of Cu deposition on Ag(111)
JOURNAL OF ELECTROANALYTICAL CHEMISTRY - (Print); Año: 1997 vol. 440 p. 271 - 277