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physics.chem-ph2004★ 3 cited
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,…
physics.chem-ph2004★ 9 cited
Stretched chemical bonds in Si6H6: A transition from ring currents to localized pi-electrons?
A. Grassi, G. M. Lombardo, R. Pucci +3
Motivated by solid-state studies on the cleavage force in Si, and the consequent stretching of chemical bonds, we here study bond stretching in the, as yet unsynthesized, free spac…