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Lily Wang (0000-0002-6095-6704), Megan L. O'Mara (0000-0002-8764-1585)
Wang et al., (2022). PsiRESP: calculating RESP charges with Psi4. Journal of Open Source Software, 7(73), 4100, https://doi.org/10.21105/joss.04100
molecular dynamics atomic partial charges force fields resp
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