To cite IsoSpecR in publications use:

Łącki MK, Valkenborg D, Startek M (2020). “IsoSpec2: Ultrafast Fine Structure Calculator.” Analytical Chemistry, 92(14), 9472-9475. doi: 10.1021/acs.analchem.0c00959, https://doi.org/10.1021/acs.analchem.0c00959.

Łącki MK, Startek M, Valkenborg D, Gambin A (2017). “IsoSpec: Hyperfast Fine Structure Calculator.” Analytical Chemistry, 89(6), 3272-3277. https://doi.org/10.1021/acs.analchem.6b01459.

Corresponding BibTeX entries:

  @Article{,
    title = {{IsoSpec2}: Ultrafast Fine Structure Calculator},
    author = {Mateusz K. Łącki and Dirk Valkenborg and Michał Startek},
    year = {2020},
    journal = {Analytical Chemistry},
    volume = {92},
    number = {14},
    pages = {9472-9475},
    doi = {10.1021/acs.analchem.0c00959},
    url = {https://doi.org/10.1021/acs.analchem.0c00959},
  }

  @Article{,
    title = {{IsoSpec}: Hyperfast Fine Structure Calculator},
    author = {Mateusz K. Łącki and Michał Startek and Dirk Valkenborg
      and Anna Gambin},
    journal = {Analytical Chemistry},
    year = {2017},
    volume = {89},
    number = {6},
    pages = {3272-3277},
    url = {https://doi.org/10.1021/acs.analchem.6b01459},
  }