37 citations · 76 across the 5 of their papers we have counts for
5 papers
Structure of a low-lying isomer of BOSi, as a free-space planar cluster, using the Hartree-Fock method plus second order perturbations
G. Forte, G. G. N. Angilella, N. H. March +1
The Hartree-Fock (HF) method, supplemented by low-order Moller-Plesset (MP2) perturbation theory, has been utilized to predict the nuclear geometry, assuming planarity, of a low-ly…
Ab initio prediction of Boron compounds arising from Borozene: Structural and electronic properties
G. Forte, A. La Magna, I. Deretzis +1
Structure and electronic properties of two unusual boron clusters obtained by fusion of borozene rings has been studied by means of first principles calculations, based on the gene…
A multiscale study of electronic structure and quantum transport in -based graphene quantum dots
I. Deretzis, G. Forte, A. Grassi +3
We implement a bottom-up multiscale approach for the modeling of defect localization in islands, i.e. graphene quantum dots with a hexagonal symmetry, by means of…
Modeling vacancies and hydrogen impurities in graphene: A molecular point of view
G. Forte, A. Grassi, G. M. Lombardo +4
We have followed a "molecular" approach to study impurity effects in graphene. This is thought as the limiting case of an infinitely large cluster of benzene rings. Therefore, we s…
Electronic structure of clusters (LiBC)_n: n=1, 2, 4
G. M. Lombardo, A. Grassi, G. Forte +3
A crystalline form of LiBC is known which has been predicted to be superconducting, with a Tc comparable to that of MgB_2. In both compounds, superconductivity is enhanced by the p…