abstract:The reaction field method is used in molecular simulations to simulate the effect of long range dipole-dipole interactions for simulations with periodic boundary conditions. Around each molecule there is a 'cavity' or sphere within which the Couloumb interactions are treated explicitly.
Thecalculations of self-consistentreactionfield (SCRF) method illustrated that the brainuptakes of the complexes relied on their absolutehydratefreeenergies.