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List of works by Simone Casolo

A few simple rules governing hydrogenation of graphene dots

scientific article published on 01 October 2011

Density functional theory based screening of ternary alkali-transition metal borohydrides: a computational material design project.

scientific article published in July 2009

Hydrogen Recombination and Dimer Formation on Graphite from Ab Initio Molecular Dynamics Simulations

scientific article

Inherently Chiral Spider-Like Oligothiophenes.

scientific article published on 20 June 2016

Inherently chiral macrocyclic oligothiophenes: easily accessible electrosensitive cavities with outstanding enantioselection performances

scientific article published on 26 September 2014

Insights into H2 formation in space from ab initio molecular dynamics.

scientific article published on 9 April 2013

On the Complex Structural Picture of the Ionic Conductor Sr6Ta2O11

Quantum dynamics of the Eley-Rideal hydrogen formation reaction on graphite at typical interstellar cloud conditions

scientific article published on 01 December 2009

Surface models and reaction barrier in Eley-Rideal formation of H2 on graphitic surfaces

scientific article published on 22 August 2011

Theoretical analysis of oxygen vacancies in layered sodium cobaltate, NaxCoO2−δ

scientific article published on 31 October 2012

Understanding adsorption of hydrogen atoms on graphene

scientific article published on 01 February 2009

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