Polarizable continuum studies on auxin derivatives

The Polarizable Continuum Solvation provides a way to study the solvation properties of the compounds. The Polarizable Continuum Solvation Model (PCSM) is extended to the compounds hetero auxins. The electrostatic contribution of free energy of solvation of the compounds is discussed. The effects of dispersion energy, repulsion energy, cavities and the dipole moments are examined. Thermo dynamical quantities of cavitations are calculated by different methods and compare the results. Quantum mechanical self-consistent reaction fields explain the properties of the compounds satisfactorily.