ACS Omega (Sep 2019)

Calculation of Electron Ionization Mass Spectra with Semiempirical GFNn-xTB Methods

  • Jeroen Koopman,
  • Stefan Grimme

DOI
https://doi.org/10.1021/acsomega.9b02011
Journal volume & issue
Vol. 4, no. 12
pp. 15120 – 15133

Abstract

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