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PyPE_RESP: A Tool to Facilitate and Standardize Derivation of RESP Charges

Marco Lapsien, Michele Bonus, Lianne Gahan, Adélaïde Raguin, Holger Gohlke. PyPE_RESP: A Tool to Facilitate and Standardize Derivation of RESP Charges. Journal of Chemical Information and Computer Sciences, 65(9):4251-4256, 2025. [doi]

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Marco Lapsien

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Michele Bonus

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Lianne Gahan

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Adélaïde Raguin

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Holger Gohlke

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