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    JCAMD
    2010
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    Analysis of SM8 and Zap TK calculations and their geometric sensitivity
    13 years 11 months ago
    Analysis of SM8 and Zap TK calculations and their geometric sensitivity
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    Abstract A prospective study of aqueous solvation energies was done using the SM8 and Zap TK models for a variety of geometries. CM4M charges calculated with M06 and M06-2X were fo...
    Benjamin A. Ellingson, A. Geoffrey Skillman, Antho...
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