Andreas Mecklenfeld
2PUBLICATIONS
1CO-AUTHORS
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Publications (2)
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|Nov 30, 2019
Applicability of a thermodynamic cycle approach for a force field parametrization targeting non-aqueous solvation free energies.Andreas Mecklenfeld, Gabriele Raabe
|Nov 11, 2017
Comparison of RESP and IPolQ-Mod Partial Charges for Solvation Free Energy Calculations of Various Solute/Solvent Pairs.Andreas Mecklenfeld, Gabriele Raabe
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