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Gerrit Schüürmann

1 paper in the Anchorcite directory, published in 1993, cited 9,575 times in total.

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Frequent co-authors

  • Andreas Klamt · 1 paper

Papers

  1. COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradientJournal of the Chemical Society Perkin Transactions 2 · 1993 · 9,575 citations

    Starting from the screening in conductors, an algorithm for the accurate calculation of dielectric screening effects in solvents is presented, which leads to rather simple explicit expressions for the screening energy and its analytic gradient with respect to the solute…

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