Functional group corrections to the GFN2-xTB and PM6 semiempirical methods for noncovalent interactions in alkanes and alkenes
- Cabaleiro-Lago, E.M.
- Fernández, B.
- Rodríguez-Fernández, R.
- Rodríguez-Otero, J.
- Vázquez, S.A.
ISSN: 1089-7690, 0021-9606
Year of publication: 2023
Volume: 158
Issue: 12
Type: Article