Thermodynamic properties of cadmium compounds from quantum chemical evaluations

Abstract

By the PM3 method, standard entropies, heats and free energies of formation for some cadmium compounds have been computed. Quantitative relationships Pexper vs, Ptheor, where P is any of the mentioned properties, have been established.

Keywords

• cadmium compounds
• thermodynamic properties
• quantum chemical evaluation
• theory-experiment correlation.