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Journal of Chemical Theory and Computation|November 21, 2015
Characterizing and Understanding Divalent Adsorbates on Carbon Nanotubes with Ab Initio and Classical Approaches: Size, Chirality, and Coverage EffectsJaap M H Kroes, Fabio Pietrucci, Alessandro Curioni, et al.The Journal of Physical Chemistry. A|July 13, 2006
Broken inter-C60 bonds as the cause of magnetism in polymeric C60: a density functional study using C60 dimersJordi Ribas-Ariño, Alessandro Curioni, Wanda Andreoni, et al.Journal of Agricultural and Food Chemistry|May 2, 2003
The elusiveness of coffee aroma: new insights from a non-empirical approachLindsey J Munro, Alessandro Curioni, Wanda Andreoni, et al.The Journal of Physical Chemistry. B|March 12, 2014
DFT-derived reactive potentials for the simulation of activated processes: the case of CdTe and CdTe:SXiao Liang Hu, Riccardo Ciaglia, Fabio Pietrucci, et al.Journal of Chemical Theory and Computation|November 18, 2015
Atom Vacancies on a Carbon Nanotube: To What Extent Can We Simulate their Effects?Jaap M H Kroes, Fabio Pietrucci, Adri C T van Duin, et al.Pageof 3