Fast Screening of Minimum Energy Crossing Points with Semiempirical Tight-Binding Methods
Pracht, Philipp; Bannwarth, Christoph Nils (Corresponding author)
Washington, DC : ACS (2022)
Journal Article
In: Journal of chemical theory and computation : JCTC
Volume: 18
Issue: 10
Page(s)/Article-Nr.: 6370-6385
Institutions
- Department of Chemistry [150000]
- Chair of Macromolecular Chemistry [154610]
- Junior Professorship of Theoretical physical chemistry of large molecules [157230]
Identifier
- DOI: 10.1021/acs.jctc.2c00578
- RWTH PUBLICATIONS: RWTH-2022-09615