@article{32299,
  author = {Julian Self and Kara D Fong and E R Logan and Kristin A Persson},
  title = {Ion Association Constants for Lithium Ion Battery Electrolytes from First-Principles Quantum Chemistry},
  abstract = {<p>We provide a quantum chemical computational framework to calculate ion association constants relevant to lithium ion battery electrolytes. We compare our method to reported experimental values as the solvent, cation, and anion are varied. For solvent, anion, and cation variations, the standard errors are respectively 0.2 eV, 0.12 eV, and 0.11 eV for the chosen data set, where Pearson correlation values are all above 0.92.</p>},
  year = {2019},
  journal = {Journal of The Electrochemical Society},
  volume = {166},
  pages = {A3554 - A3558},
  month = {10/2019},
  issn = {0013-4651},
  doi = {10.1149/2.1061914jes},
  language = {eng},
}