The paper is organized as follows. In section 2, brief descriptions of ab initio molecular dynamics (AIMD), classical density functional theory (cDFT) and the hybrid AIMD-cDFT methods are given, followed the section 3 in which solvation energies of various molecules and ions using this hybrid method are presented in comparison to SMD and experimental values. Results on the reaction and reaction path of Cl -ion attack on CH 3 Cl in solution are presented in section 4, and lastly the conclusions are given in section 5.