Coupled semiempirical quantum mechanics and molecular mechanics (QM/MM) calculations on the aqueous solvation free energies of ionized molecules

Peter L. Cummins, Jill E. Gready*

*Corresponding author for this work

    Research output: Contribution to journal › Article › peer-review

    27 Citations (Scopus)

    Fingerprint

    Dive into the research topics of 'Coupled semiempirical quantum mechanics and molecular mechanics (QM/MM) calculations on the aqueous solvation free energies of ionized molecules'. Together they form a unique fingerprint.

    Chemistry

    Material Science