Comparison of RESP and IPolQ-Mod Partial Charges for...

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Journal of Chemical Theory and Computation 2017 / 11

Comparison of RESP and IPolQ-Mod Partial Charges for Solvation Free Energy Calculations of Various Solute/Solvent Pairs

Mecklenfeld, Andreas, Raabe, Gabriele
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Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.7b00692
Date:
November, 2017
File:
PDF, 1.55 MB
english, 2017
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