Coupling density functional based tight binding with class 1 force fields in a hybrid QM/MM scheme
Crossref DOI link: https://doi.org/10.1007/s00214-022-02878-6
Published Online: 2022-03-12
Published Print: 2022-03
Update policy: https://doi.org/10.1007/springer_crossmark_policy
Yusef Buey, Maysa
Mineva, Tzonka
Rapacioli, Mathias http://orcid.org/0000-0003-2394-6694
Funding for this research was provided by:
agence nationale de la recherche (ANR-19-CE29-0011-02)
Text and Data Mining valid from 2022-03-01
Version of Record valid from 2022-03-01
Article History
Received: 23 July 2021
Accepted: 13 February 2022
First Online: 12 March 2022