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- [29] An efficient linear-scaling electrostatic coupling for treating periodic boundary conditions in QM/MM simulationsJOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2006, 2 (05) : 1370 - 1378Laino, TeodoroMohamed, FawziLaio, AlessandroParrinello, Michele
- [30] Ab initio QM/MM simulation with proper sampling: "First principle" calculations of the free energy of the autodissociation of water in aqueous solutionJOURNAL OF PHYSICAL CHEMISTRY B, 2002, 106 (51): : 13333 - 13343Trajbl, MHong, GYWarshel, A