235 citations · 883 across the 51 of their papers we have counts for
4 papers · 1 filter
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…
The nuclear structure and related properties of some low-lying isomers of free-space O_n clusters (n=6, 8, 12)
G. Forte, G. G. N. Angilella, N. H. March +1
After some introductory comments relating to antiferromagnetism of crystalline O_2, and brief remarks on the geometry of ozone, Hartree-Fock (HF) theory plus second-order Moller-Pl…
Neutral and cationic free-space oxygen-silicon clusters SiOn (1 < n <= 6), and possible relevance to crystals of SiO2 under pressure
G. Forte, G. G. N. Angilella, V. Pittalà +2
Motivated by the theoretical study of Saito and Ono (2011) on three crystalline forms of SiO2 under pressure, quantum-chemical calculations on various free-space clusters of SiOn a…
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…