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The Journal of Physical Chemistry. A|May 1, 2015
Pristine Graphene-Based Catalysis: Significant Reduction of the Inversion Barriers of Adsorbed and Confined Corannulene, Sumanene, and Dibenzo[a,g]corannulenePablo A DenisChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|October 29, 2014
Chemical reactivity and band-gap opening of graphene doped with gallium, germanium, arsenic, and selenium atomsPablo A DenisJournal of Chemical Theory and Computation|December 8, 2015
Basis Set Requirements for Sulfur Compounds in Density Functional Theory: a Comparison between Correlation-Consistent, Polarized-Consistent, and Pople-Type Basis SetsPablo A DenisThe Journal of Physical Chemistry. A|April 28, 2006
Thermochemistry of the hypobromous and hypochlorous acids, HOBr and HOClPablo A DenisSpectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|December 23, 2008
On the vibrational spectra of HSO and SOHPablo A DenisJournal of Molecular Modeling|March 6, 2024
Chemical reactivity of graphene doped with 3d transition metals: nothing compares to a single vacancyPablo A DenisNanoscale|May 1, 2026
Impact of multivalent cation exchange on the electrochemical polarization and high energy storage of copper telluride nanoparticles: a comprehensive computational studyC Pereyra Huelmo, Ricardo Faccio, Guillermo Mihali, et al.Journal of Molecular Modeling|July 12, 2002
Docking and molecular dynamics studies at trypanothione reductase and glutathione reductase active sitesFederico Iribarne, Margot Paulino, Sara Aguilera, et al.The Journal of Chemical Physics|July 20, 2006
Electronic states and potential energy curves of molybdenum carbide and its ionsPablo A Denis, K BalasubramanianPageof 5