Overview

The electric field generated by partial charges of a molecule spread through intermolecular cavities and the solvent that the molecule is solved within. The induced partial charge (induced dipole) has a tendency to diminish the external electric field and this is termed polarizability. Our calculation takes into account the effect of partial charges upon atomic polarizability as well as 2D and 3D geometries.

The electric field generated by partial charges of a molecule spread through intermolecular cavities and the solvent that the molecule is solved within. The induced partial charge (induced dipole) has a tendency to diminish the external electric field and this is termed polarizability.

The more stable each ionized site is the more its vicinity is polarizable. This is why atomic polarizability is an important factor in the determination of pK_a and why it is considered in our pK_a calculation plugin.

Atomic polarizability is altered by partial charges of atoms. Our calculation takes into account the effect of partial charge upon atomic polarizability as well as the the 2D and 3D geometries.