Lista de obras -

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

Bimetallic Al-Sn clusters: mixing at the nanoscale

artículo científico publicado en 2019

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

artículo científico publicado en 1990

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

scientific article published on 01 November 2005

Fragmentation of atomic clusters: A theoretical study

artículo científico publicado en 1994

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

artículo científico publicado en 2015

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

artículo científico publicado en 2008

Interaction of narrow carbon nanotubes with nitronium tetrafluoroborate salts

scientific article published on 01 June 2008

Novel polygonized single-wall carbon nanotube bundles

artículo científico publicado en 2001

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

scientific article published in Physical Review Letters

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

artículo científico publicado en 2017

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

Stability of silicon-doped C60 dimers

artículo científico publicado en 2007

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

artículo científico publicado en 1990

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

artículo científico publicado en 1996

Theoretical study of the adsorption of hydrogen on cobalt clusters

artículo científico publicado en 2018

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

artículo científico publicado en 1996

Lista de obras de

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

Bimetallic Al-Sn clusters: mixing at the nanoscale

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

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

Fragmentation of atomic clusters: A theoretical study

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

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

Interaction of narrow carbon nanotubes with nitronium tetrafluoroborate salts

Novel polygonized single-wall carbon nanotube bundles

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

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

Simulated porosity and electronic structure of nanoporous carbons.

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

Stability of silicon-doped C60 dimers

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

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

Theoretical study of the adsorption of hydrogen on cobalt clusters

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