Jürgen Gräfenstein

Jürgen Gräfenstein

University of Gothenburg - Göteborg / Sweden
Natural Sciences / Chemical Sciences
AD Scientific Index ID: 1256307
Göteborgs universitet
person_outline Jürgen Gräfenstein's MOST POPULAR ARTICLES
1-) Nuclear magnetic resonance spin–spin coupling constants from coupled perturbed density functional theory The Journal of Chemical Physics 113 (9), 3530-3547, 2000
2-) An accurate description of the Bergman reaction using restricted and unrestricted DFT: Stability test, spin density, and on-top pair density The Journal of Physical Chemistry A 104 (8), 1748-1761, 2000
3-) Can unrestricted density-functional theory describe open shell singlet biradicals? International Journal of Molecular Sciences 3 (4), 360-394, 2002
4-) The impact of the self-interaction error on the density functional theory description of dissociating radical cations: Ionic and covalent dissociation limits The Journal of chemical physics 120 (2), 524-539, 2004
5-) Can density functional theory describe multi-reference systems? Investigation of carbenes and organic biradicals Physical Chemistry Chemical Physics 2 (10), 2091-2103, 2000