List of works - María J López

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

Bimetallic Al-Sn clusters: mixing at the nanoscale

scientific article published on 01 October 2019

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

scientific article published on 01 March 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

scientific article published on 01 August 1994

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

scientific article published on 01 February 2015

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

scientific article published on 01 April 2008

Interaction of narrow carbon nanotubes with nitronium tetrafluoroborate salts

scientific article published on 01 June 2008

Novel polygonized single-wall carbon nanotube bundles

scientific article published on 01 April 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.

scientific article published on June 2017

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

scientific article published on 01 November 2005

Stability of silicon-doped C60 dimers

scientific article published on 01 January 2007

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