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    2006
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    Ab initio QM/MM dynamics of H3O+ in water
    13 years 5 months ago
    Ab initio QM/MM dynamics of H3O+ in water
    Download  chem.hamilton.edu
    : A molecular dynamics (MD) simulation based on a combined ab initio quantum mechanics/molecular mechanics (QM/MM) method has been performed to investigate the solvation structure ...
    Pathumwadee Intharathep, Anan Tongraar, Kritsana S...
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