PsiRESP: calculating RESP charges with Psi4

Python Jupyter Notebook Submitted 16 December 2021Published 04 May 2022
Review

Editor: @pdebuyl (all papers)
Reviewers: @ptmerz (all reviews), @hannahbrucemacdonald (all reviews)

Authors

Lily Wang (0000-0002-6095-6704), Megan L. O'Mara (0000-0002-8764-1585)

Citation

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

Copy citation string · Copy BibTeX  
Tags

molecular dynamics atomic partial charges force fields resp

Altmetrics
Markdown badge

 

License

Authors of JOSS papers retain copyright.

This work is licensed under a Creative Commons Attribution 4.0 International License.

Creative Commons License

Public user content licensed CC BY 4.0 unless otherwise specified.
ISSN 2475-9066