6 citations · 18 across the 5 of their papers we have counts for
5 papers
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…
Molecules in clusters: the case of planar LiBeBCNOF built from a triangular form LiOB and a linear four-center species FBeCN
G. Forte, A. Grassi, G. M. Lombardo +3
Krueger some years ago proposed a cluster LiBeBCNOF, now called periodane. His ground-state isomer proposal has recently been refined by Bera et al. using DFT. Here, we take the ap…
Equilibrium molecular energies used to obtain molecular dissociation energies and heats of formation within the bond-order correlation approach
A. Grassi, G. M. Lombardo, G. Forte +3
Ab initio calculations including electron correlation are still extremely costly except for the smallest atoms and molecules. Therefore, our purpose in the present study is to empl…
Bond-order correlation energies for small Si-containing molecules compared with ab initio results from low-order Moller-Plesset perturbation theory
A. Grassi, G. M. Lombardo, G. Forte +3
The present study of small molecules containing silicon has been motivated by (a) the considerable interest being shown currently in the kinetics and reactivity of such molecules,…