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"Molecular dynamics simulations of ion solvation by flexible-boundary ..."
Soroosh Pezeshki, Hai Lin (2014)
- Soroosh Pezeshki, Hai Lin:
Molecular dynamics simulations of ion solvation by flexible-boundary QM/MM: On-the-fly partial charge transfer between QM and MM subsystems. J. Comput. Chem. 35(24): 1778-1788 (2014)
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