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

Effects of diameter, length, chirality and defects on the scavenging action of single-walled carbon nanotubes for OH radicals: A quantum computational study

(2010) P.K. Shukla et al.   CHEMICAL PHYSICS

Band gap opening of monolayer and bilayer graphene doped with aluminium, silicon, phosphorus, and sulfur

(2010) Pablo A. Denis   CHEMICAL PHYSICS LETTERS

Thiophene adsorption on Single Wall Carbon Nanotubes and graphene

(2010) Pablo A. Denis et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Monolayer and Bilayer Graphene Functionalized with Nitrene Radicals

(2010) Pablo A. Denis et al.   Journal of Physical Chemistry C

Carbon nanotubes: promising agents against free radicals

(2010) Annia Galano   Nanoscale

Is It Possible to Dope Single-Walled Carbon Nanotubes and Graphene with Sulfur?

(2009) Pablo A. Denis et al.   CHEMPHYSCHEM

Hydrogenated double wall carbon nanotubes

(2009) Pablo A. Denis et al.   JOURNAL OF CHEMICAL PHYSICS

Labeling the defects of carbon nanotubes with thiol groups

(2009) Pablo A. Denis et al.   JOURNAL OF MATERIALS SCIENCE

On the hydrogen addition to graphene

(2009) Pablo A. Denis et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Unraveling the Reactivity of Semiconducting Chiral Carbon Nanotubes through Finite-Length Models Based on Clar Sextet Theory

(2009) Matteo Baldoni et al.   Journal of Physical Chemistry C

Influence of Diameter, Length, and Chirality of Single-Walled Carbon Nanotubes on Their Free Radical Scavenging Capability

(2009) Annia Galano   Journal of Physical Chemistry C

Density Functional Investigation of Thioepoxidated and Thiolated Graphene

(2009) Pablo A. Denis   Journal of Physical Chemistry C

Antioxidant Single-Walled Carbon Nanotubes

(2009) Rebecca M. Lucente-Schultz et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Half metallicty in finite-length zigzag single walled carbon nanotube: A first-principle prediction

(2008) A. J. Du et al.   APPLIED PHYSICS LETTERS

Methane adsorption inside and outside pristine and N-doped single wall carbon nanotubes

(2008) Pablo A. Denis   CHEMICAL PHYSICS

Theoretical characterization of thioepoxidated single wall carbon nanotubes

(2008) Pablo A. Denis et al.   CHEMICAL PHYSICS LETTERS

Theoretical investigation of the stability, electronic and magnetic properties of thiolated single-wall carbon nanotubes

(2008) Pablo A. Denis   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Chemical Functionalization of Single-Walled Carbon Nanotubes (SWNTs) by Aryl Groups: A Density Functional Theory Study

(2008) Jing-xiang Zhao et al.   Journal of Physical Chemistry C

First-Principles Studies on Carbon Nanotubes Functionalized with Azomethine Ylides

(2008) Eunseog Cho et al.   Journal of Physical Chemistry C