Automated versus Chemically Intuitive Deconvolution of Density Functional Theory (DFT)-Based Gas-Phase Errors in Nitrogen Compounds

  1. Builes, S.
  2. Calle-Vallejo, F.
  3. Urrego-Ortiz, R.
Journal:
Industrial and Engineering Chemistry Research

ISSN: 1520-5045,  0888-5885

Year of publication: 2022

Volume: 61

Issue: 36

Pages: 13375-13382

Type: Article

DOI: 10.1021/ACS.IECR.2C02111 GOOGLE SCHOLAR lock_openOpen access editor
Data source: Scopus