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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},
}
These binaries (installable software) and packages are in development.
They may not be fully stable and should be used with caution. We make no claims about them.