EMPIRE: a highly parallel semiempirical molecular orbital program: 3: Born-Oppenheimer molecular dynamics
Crossref DOI link: https://doi.org/10.1007/s00894-020-4293-z
Published Online: 2020-02-03
Published Print: 2020-03
Update policy: https://doi.org/10.1007/springer_crossmark_policy
Margraf, Johannes T.
Hennemann, Matthias
Clark, Timothy http://orcid.org/0000-0001-7931-4659
Funding for this research was provided by:
Bayerisches Staatsministerium für Bildung und Kultus, Wissenschaft und Kunst (SolTech)
Text and Data Mining valid from 2020-02-03
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Article History
Received: 5 December 2019
Accepted: 13 January 2020
First Online: 3 February 2020