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Theoretical study of the structures of neutral and singly charged Si(sub n)Li(sub p)(super +) (n = 1-6, p = 1-2) clusters is carried out in the framework of the density functional theory (DFT) with the B3LYP functional. Vertical and adiabatic ionization potentials, adsorption energies, as well as electric dipole moments and static dipolar polarizabilities, are calculated for each isomer of neutral species.

An electric beam deflection experimental for a series of isolated transition-metal-benzene complexes is studied. A complete description of these systems is a challenge for both theoreticians and experimentalists.

The vertical dissociation energy and adiabatic electron affinity is computed for small carbon groups C(sub n) (n = 2-20) for linear and monocyclic structures. It is observed that for both the structures, the lowest predicted division energy corresponding to the loss of C3 remains larger than electron affinities for the sizes considered.

Investigations of electronic structure of molecular ion LiNa(super +) are performed in the framework of a model potential method. Model potential calculations including potential energies and dipole moments are performed at lower states of heteronuclear alkali cation LiNa(super +).