Lista de obras - Julio A Alonso - Dominio Público Uruguay

A density-functional study on the formation of Mo(2)2+

artículo científico publicado en 2005

Ab Initio Photoabsorption Spectra and Structures of Small Semiconductor and Metal Clusters

scientific article published on 01 July 1996

Ab initio studies of propene epoxidation on oxidized silver surfaces

artículo científico publicado en 2014

Adsorption and growth of palladium clusters on graphdiyne.

artículo científico publicado en 2017

Atomic structure and segregation in alkali-metal heteroclusters

artículo científico publicado en 1990

Barrier for the reaction X20++X20+-->X402+ in alkali-metal clusters related to electron density at the bond midpoint of the supermolecule (X20+)2

artículo científico publicado en 1994

Collective electronic excitations in metal-coated C60

scientific article published on 01 June 1994

Comment on “The diatomic dication CuZn2+ in the gas phase” [J. Chem. Phys. 135, 034306 (2011)] ⬇️

artículo científico publicado el 21 de febrero de 2013

Controlling the Adsorption of Carbon Monoxide on Platinum Clusters by Dopant-Induced Electronic Structure Modification.

artículo científico publicado en 2016

Coulomb barriers in the dissociation of doubly charged clusters

scientific article published on 01 April 1991

Deformed-jellium model for the fission of multiply charged simple metal clusters

scientific article published on 01 January 1995

Density-functional calculation of the fragmentation of doubly ionized spherical jelliumlike metallic microparticles

artículo científico publicado en 1986

Determination of the glass-forming concentration range in binary alloys from a semiempirical theory: Application to Zr-based alloys

artículo científico publicado en 1987

Dissociation channels of NaN+ clusters (3 <= N <= 37)

artículo científico publicado en 1990

Electronic and Atomic Structure, and Magnetism of Transition-Metal Clusters ⬇️

artículo científico publicado el 9 de febrero de 2000

Electronic and atomic structure of the Al(n)H(n+2) clusters

artículo científico publicado en 2008

Elimination vs substitution reaction. A dichotomy between Brønsted-Lowry and Lewis basicity

scientific article published on 29 January 2015

Embedded-atom method applied to bimetallic clusters: The Cu-Ni and Cu-Pd systems

scientific article published on 01 June 1994

Enhancement of hydrogen physisorption on graphene and carbon nanotubes by Li doping

scientific article published on 01 November 2005

From graphene oxide to pristine graphene: revealing the inner workings of the full structural restoration

artículo científico publicado en 2015

Growth of fullerene fragments using the Diels-Alder cycloaddition reaction: first step towards a C60 synthesis by dimerization

artículo científico publicado en 2013

Hydrogen Chemical Configuration and Thermal Stability in Tungsten Disulfide Nanoparticles Exposed to Hydrogen Plasma.

artículo científico publicado en 2017

Hydrogen storage in pure and Li-doped carbon nanopores: combined effects of concavity and doping

artículo científico publicado en 2008

Influence of nonlocal exchange-correlation effects on the response properties of simple metal clusters

artículo científico publicado en 1992

Interaction of narrow carbon nanotubes with nitronium tetrafluoroborate salts

scientific article published on 01 June 2008

Molecular-dynamics study of the binding energy and melting of transition-metal clusters

artículo científico publicado en 1993

Molecular-dynamics study of the structure, binding energy, and melting of small clusters of fullerene molecules using Girifalco's spherical model

artículo científico publicado en 1994

Molecular-dynamics study of the structures, binding energies, and melting of clusters of fcc transition and noble metals using the Voter and Chen version of the embedded-atom model

artículo científico publicado en 1994

Nonlocal exchange- and kinetic-energy density functionals for electronic systems: Application to atoms and ions

artículo científico publicado en 1993

Novel polygonized single-wall carbon nanotube bundles

artículo científico publicado en 2001

Observation of Zr2(2+), Cd2(2+), Hf2(2+), W2(2+), and Pt2(2+) in the gas phase

scientific article published on 01 April 2009

Optical Properties of Nanostructures from Time-Dependent Density Functional Theory

Patching and Tearing Single-Wall Carbon-Nanotube Ropes into Multiwall Carbon Nanotubes

scientific article published in Physical Review Letters

Photoabsorption spectra of Ti8C12 metallocarbohedrynes: Theoretical spectroscopy within time-dependent density functional theory

artículo científico publicado en 2006

Protophilicity index and protofelicity equalization principle: new measures of Brønsted-Lowry-Lewis acid-base interactions

artículo científico publicado en 2013

Relation between transport and thermodynamic properties in liquid sp-electron metals near freezing

artículo científico publicado en 1999

Searching for DFT-based methods that include dispersion interactions to calculate the physisorption of H2 on benzene and graphene.

artículo científico publicado en 2017

Selective propene epoxidation on immobilized au(6-10) clusters: the effect of hydrogen and water on activity and selectivity

artículo científico publicado en 2009

Self-consistent local-density approximation with model Coulomb pair-correlation functions for electronic systems

artículo científico publicado en 1993

Simulated porosity and electronic structure of nanoporous carbons.

artículo científico publicado en 2011

Simulating the thermal behavior and fragmentation mechanisms of exohedral and substitutional silicon-doped C60

scientific article published on 01 November 2005

Size effects on the vacancy-formation energy of small sodium clusters in the jellium model.

artículo científico publicado en 1988

Stabilities of large sodium clusters for different atomic arrangements

scientific article published on 01 February 1993

Stability of silicon-doped C60 dimers

artículo científico publicado en 2007

Structural corrections to Stokes-Einstein relation for liquid metals near freezing

artículo científico publicado en 2006

Structure and energetics of Nan-xLix (n <= 21) clusters

artículo científico publicado en 1990

The Diels-Alder Cycloaddition Reaction of Substituted Hemifullerenes with 1,3-Butadiene: Effect of Electron-Donating and Electron-Withdrawing Substituents

artículo científico publicado en 2016

The diatomic dication CuZn2+ in the gas phase

artículo científico publicado en 2011

Theoretical study of icosahedral Ni clusters within the embedded-atom method

artículo científico publicado en 1996

Theoretical study of the binding of Na clusters encapsulated in the C240 fullerene

artículo científico publicado en 1996

Theoretical study of the photoabsorption spectrum of Na8, Na20, Cs8, and Cs10O clusters

scientific article published on 01 June 1992

Tight-binding study of the ionization of iron clusters

artículo científico publicado en 1996

Weighted-density exchange and local-density Coulomb correlation energy functionals for finite systems: Application to atoms

artículo científico publicado en 1993

Lista de obras de Julio A Alonso

A density-functional study on the formation of Mo(2)2+

Ab Initio Photoabsorption Spectra and Structures of Small Semiconductor and Metal Clusters

Ab initio studies of propene epoxidation on oxidized silver surfaces

Adsorption and growth of palladium clusters on graphdiyne.

Atomic structure and segregation in alkali-metal heteroclusters

Barrier for the reaction X20++X20+-->X402+ in alkali-metal clusters related to electron density at the bond midpoint of the supermolecule (X20+)2

Collective electronic excitations in metal-coated C60

Comment on “The diatomic dication CuZn2+ in the gas phase” [J. Chem. Phys. 135, 034306 (2011)] ⬇️

Controlling the Adsorption of Carbon Monoxide on Platinum Clusters by Dopant-Induced Electronic Structure Modification.

Coulomb barriers in the dissociation of doubly charged clusters

Deformed-jellium model for the fission of multiply charged simple metal clusters

Density-functional calculation of the fragmentation of doubly ionized spherical jelliumlike metallic microparticles

Determination of the glass-forming concentration range in binary alloys from a semiempirical theory: Application to Zr-based alloys

Dissociation channels of NaN+ clusters (3 <= N <= 37)

Electronic and Atomic Structure, and Magnetism of Transition-Metal Clusters ⬇️

Electronic and atomic structure of the Al(n)H(n+2) clusters

Elimination vs substitution reaction. A dichotomy between Brønsted-Lowry and Lewis basicity

Embedded-atom method applied to bimetallic clusters: The Cu-Ni and Cu-Pd systems

Enhancement of hydrogen physisorption on graphene and carbon nanotubes by Li doping

From graphene oxide to pristine graphene: revealing the inner workings of the full structural restoration

Growth of fullerene fragments using the Diels-Alder cycloaddition reaction: first step towards a C60 synthesis by dimerization

Hydrogen Chemical Configuration and Thermal Stability in Tungsten Disulfide Nanoparticles Exposed to Hydrogen Plasma.

Hydrogen storage in pure and Li-doped carbon nanopores: combined effects of concavity and doping

Influence of nonlocal exchange-correlation effects on the response properties of simple metal clusters

Interaction of narrow carbon nanotubes with nitronium tetrafluoroborate salts

Molecular-dynamics study of the binding energy and melting of transition-metal clusters

Molecular-dynamics study of the structure, binding energy, and melting of small clusters of fullerene molecules using Girifalco's spherical model

Molecular-dynamics study of the structures, binding energies, and melting of clusters of fcc transition and noble metals using the Voter and Chen version of the embedded-atom model

Nonlocal exchange- and kinetic-energy density functionals for electronic systems: Application to atoms and ions

Novel polygonized single-wall carbon nanotube bundles

Observation of Zr2(2+), Cd2(2+), Hf2(2+), W2(2+), and Pt2(2+) in the gas phase

Optical Properties of Nanostructures from Time-Dependent Density Functional Theory

Patching and Tearing Single-Wall Carbon-Nanotube Ropes into Multiwall Carbon Nanotubes

Photoabsorption spectra of Ti8C12 metallocarbohedrynes: Theoretical spectroscopy within time-dependent density functional theory

Protophilicity index and protofelicity equalization principle: new measures of Brønsted-Lowry-Lewis acid-base interactions

Relation between transport and thermodynamic properties in liquid sp-electron metals near freezing

Searching for DFT-based methods that include dispersion interactions to calculate the physisorption of H2 on benzene and graphene.

Selective propene epoxidation on immobilized au(6-10) clusters: the effect of hydrogen and water on activity and selectivity

Self-consistent local-density approximation with model Coulomb pair-correlation functions for electronic systems

Simulated porosity and electronic structure of nanoporous carbons.

Simulating the thermal behavior and fragmentation mechanisms of exohedral and substitutional silicon-doped C60

Size effects on the vacancy-formation energy of small sodium clusters in the jellium model.

Stabilities of large sodium clusters for different atomic arrangements

Stability of silicon-doped C60 dimers

Structural corrections to Stokes-Einstein relation for liquid metals near freezing

Structure and energetics of Nan-xLix (n <= 21) clusters

The Diels-Alder Cycloaddition Reaction of Substituted Hemifullerenes with 1,3-Butadiene: Effect of Electron-Donating and Electron-Withdrawing Substituents

The diatomic dication CuZn2+ in the gas phase

Theoretical study of icosahedral Ni clusters within the embedded-atom method

Theoretical study of the binding of Na clusters encapsulated in the C240 fullerene

Theoretical study of the photoabsorption spectrum of Na8, Na20, Cs8, and Cs10O clusters

Tight-binding study of the ionization of iron clusters

Weighted-density exchange and local-density Coulomb correlation energy functionals for finite systems: Application to atoms