Barrier Height Prediction by Machine Learning Correction of Semiempirical Calculations

  1. García-Andrade, X.
  2. García Tahoces, P.
  3. Pérez-Ríos, J.
  4. Martínez Núñez, E.
Journal:
Journal of Physical Chemistry A

ISSN: 1520-5215,  1089-5639

Year of publication: 2023

Volume: 127

Issue: 10

Pages: 2274-2283

Type: Article

DOI: 10.1021/ACS.JPCA.2C08340 GOOGLE SCHOLAR

Sustainable development goals

Data source: Scopus