MOPAC: An open-source semiempirical molecular orbital program

C Fortran Submitted 25 February 2025Published 15 March 2026
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Editor: @RMeli (all papers)
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Authors

Jonathan E. Moussa (0000-0003-3701-1830), James J. p. Stewart

Citation

Moussa et al., (2026). MOPAC: An open-source semiempirical molecular orbital program. Journal of Open Source Software, 11(119), 8025, https://doi.org/10.21105/joss.08025

@article{Moussa2026, doi = {10.21105/joss.08025}, url = {https://doi.org/10.21105/joss.08025}, year = {2026}, publisher = {The Open Journal}, volume = {11}, number = {119}, pages = {8025}, author = {Moussa, Jonathan E. and Stewart, James J. p.}, title = {MOPAC: An open-source semiempirical molecular orbital program}, journal = {Journal of Open Source Software} }
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physical chemistry quantum chemistry electronic structure semiempirical models

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ISSN 2475-9066