Efficient approach to include molecular polarizations using charge and atom dipole response kernels to calculate free energy gradients in QM/MM scheme , T.Asada,K.Ando,K.Sakurai,S.Koseki,M.Nagaoka, Phys.Chem.Chem.Phys.,17, 26955 – 26968 (2015).
Efficient approach to include molecular polarizations using charge and atom dipole response kernels to calculate free energy gradients in QM/MM scheme , T.Asada,K.Ando,K.Sakurai,S.Koseki,M.Nagaoka, Phys.Chem.Chem.Phys.,17, 26955 – 26968 (2015).