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Describes analytical energy gradients of a self-consistent reaction-field solvation model based on CM2 atomic charges. Analytic free energy gradients; Derivative of S[sup 1/2]; Derivatives of exposed surface areas; Sample calculations based on the solvation model; Derivation of analytical gradients for the solvation model.

Evaluates the use of SM5 solvation model in conjunction with high-level electronic structure calculations. Presentation of several implementations based on density-functional theory; Employment of fixed solute geometries in solvation calculations; Description of the electric polarization in the solute-solvent system.

Reports on the first principles study of the structural and electronic properties of ethylene adsorption on silicon(100) surface. Adsorption energy of ethylene bonded to the surface silicon dimers; Comparison between the dimer-maintained adsorption structure and dimer-cleaved; Post-exposure of the ethylene-saturated surface to atomic hydrogen.

Presents corrections to the article, entitled `Density functional solvation model based on CM2 atomic charges' published in the volume 109 issue of the `Journal of Chemical Physics'.