To cite volcalc in publications please use:

  Riemer K, Scott E, Meredith L (2023). _volcalc: Calculate Volatility
  of Chemical Compounds_. doi:10.5281/zenodo.8015155
  <https://doi.org/10.5281/zenodo.8015155>, R package version
  2.1.2.9000.

A BibTeX entry for LaTeX users is

  @Manual{,
    title = {volcalc: Calculate Volatility of Chemical Compounds},
    author = {Kristina Riemer and Eric R. Scott and Laura K. Meredith},
    year = {2023},
    note = {R package version 2.1.2.9000},
    doi = {10.5281/zenodo.8015155},
  }

Please also cite the related manuscript:

  Meredith L, Ledford S, Riemer K, Geffre P, Graves K, Honeker L,
  LeBauer D, Tfaily M, Krechmer J (2023). “Automating methods for
  estimating metabolite volatility.” _Frontiers in Microbiology_.
  doi:10.3389/fmicb.2023.1267234
  <https://doi.org/10.3389/fmicb.2023.1267234>.

A BibTeX entry for LaTeX users is

  @Article{,
    title = {Automating methods for estimating metabolite volatility},
    author = {LK Meredith and SK Ledford and Kristina Riemer and P Geffre and K Graves and L Honeker and D LeBauer and M Tfaily and J Krechmer},
    year = {2023},
    doi = {10.3389/fmicb.2023.1267234},
    journal = {Frontiers in Microbiology},
  }