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2020
Mark The DIRAC code for relativistic molecular calculations
Saue, Trond ; Bast, Radovan ; Gomes, André Severo Pereira ; Jensen, Hans Jørgen Aa ; Visscher, Lucas ; Aucar, Ignacio Agustín ; Di Remigio, Roberto ; Dyall, Kenneth G. ; Eliav, Ephraim and Fasshauer, Elke , et al. (2020) In The Journal of chemical physics 152(20). p.204104-204104
- Contribution to journal › Article
2014
Mark Theoretical Fe-57 Mossbauer spectroscopy: isomer shifts of [Fe]- hydrogenase intermediates
Hedegard, Erik Donovan ; Knecht, Stefan ; Ryde, Ulf ^LU ; Kongsted, Jacob and Saue, Trond (2014) In Physical Chemistry Chemical Physics 16(10). p.4853-4863
- Contribution to journal › Article