Segmentation and additive approach: A reliable technique to study noncovalent interactions of large molecules at the surface of single-wall carbon nanotubes.
J. Comput. Chem., 2016
Effects of O<sub>3</sub> Adsorption on the Emission Properties of Single-Wall Carbon Nanotubes: A Density Functional Theory Study.
Proceedings of the Computational Science, 2006
Functionalization of Single-Wall Carbon Nanotubes: An Assessment of Computational Methods.
Proceedings of the Computational Science, 2004