List of works - Pablo A Denis

A first-principles study on the interaction between alkyl radicals and graphene

scientific article published on 24 April 2012

Basis Set Requirements for Sulfur Compounds in Density Functional Theory: a Comparison between Correlation-Consistent, Polarized-Consistent, and Pople-Type Basis Sets

scientific article published on 01 September 2005

Electronic spectra of oxocomplexes of Re(V) with thiolato ligands.

scientific article published on 20 March 2010

Electronic states and potential energy curves of molybdenum carbide and its ions.

scientific article published in July 2006

Hydrogenated double wall carbon nanotubes

scientific article published on 01 May 2009

Interaction between alkyl radicals and single wall carbon nanotubes ⬇️

scientific article published on April 23, 2012

Is it possible to dope single-walled carbon nanotubes and graphene with sulfur?

scientific article published on 01 March 2009

Mechanical properties of graphene nanoribbons.

scientific article

Multireference configuration interaction study of the electronic states of ZrC.

scientific article

On the applicability of cluster models to study the chemical reactivity of carbon nanotubes

scientific article published on 19 May 2011

On the vibrational spectra of HSO and SOH

scientific article published on 17 November 2008

Solution phase photolysis of 1,2-dithiane alone and with single-walled carbon nanotubes

scientific article published on 08 August 2012

Structural and magnetic properties of a defective graphene buffer layer grown on SiC(0001): a DFT study

scientific article published on 08 July 2020

Studies of trypanocidal (inhibitory) power of naphthoquinones: evaluation of quantum chemical molecular descriptors for structure-activity relationships.

scientific article published on 6 January 2008

Theoretical characterization of hydrogen polyoxides: HOOH, HOOOH, HOOOOH, and HOOO

scientific article published on 01 January 2009

Theoretical investigation of carbon-sulfur triple bonds

scientific article published on 12 January 2011

Thermochemistry of the hypobromous and hypochlorous acids, HOBr and HOCl

scientific article published on 01 May 2006

Thermodynamic study of proton transfer reactions of Re(V) trans-dioxocomplexes in aqueous solution.

scientific article published on 27 August 2009

Time-Dependent Density Functional Theory Investigation of the Electronic Spectra of Hexanuclear Chalcohalide Rhenium(III) Clusters ⬇️

scientific article published on December 15, 2010

Triple-Doped Monolayer Graphene with Boron, Nitrogen, Aluminum, Silicon, Phosphorus, and Sulfur.

scientific article published on 25 April 2017

List of works by Pablo A Denis