List of works - Julio A Alonso

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

scientific article published on 01 October 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

scientific article published on 01 December 2014

Adsorption and growth of palladium clusters on graphdiyne.

scientific article published on 12 July 2017

Atomic structure and segregation in alkali-metal heteroclusters

scientific article published on 01 September 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

scientific article published on 01 February 1994

Collective electronic excitations in metal-coated C60

scientific article published on 01 June 1994

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

scientific article

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

scientific article published on 01 August 1986

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

scientific article published on 01 September 1987

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

scientific article published on 01 March 1990

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

scientific article published on 01 August 2008

Electronic and atomic structure, and magnetism of transition-metal clusters

scientific article published on 01 February 2000

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

scientific article published on 01 February 2015

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

scientific article published on 13 February 2013

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

scientific article published in May 2017

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

scientific article published on 01 April 2008

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

scientific article published on 01 August 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

scientific article published on 01 September 1993

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

scientific article published on 01 March 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

scientific article published on 01 March 1994

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

scientific article published on 01 March 1993

Novel polygonized single-wall carbon nanotube bundles

scientific article published on 01 April 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

scientific article published on 01 August 2006

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

scientific article published on 07 July 2013

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

scientific article published on 01 October 1999

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

scientific article published on June 2017

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

scientific article published in January 2009

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

scientific article published on 01 March 1993

Simulated porosity and electronic structure of nanoporous carbons.

scientific article published in September 2011

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