Concepedia
Statistics
Publications
53
Citations
4K
H-Index
36
Active since
1988
Affiliations
University of Gothenburg(Current)
Swedish e-Science Research Centre
University of the Pacific
Uppsala University
University of Jyväskylä
Jürgen Gräfenstein is an author at University of Gothenburg specializing in natural sciences, chemistry, and physics.
Publications per year
1988–2020
Nuclear magnetic resonance spin–spin coupling constants from coupled perturbed density functional theory
Vladimı́r Sychrovský, Jürgen Gräfenstein, Dieter Cremer · The Journal of Chemical Physics · 2000 · 351 citations
Natural Sciences, Chemistry, Physics +17
An Accurate Description of the Bergman Reaction Using Restricted and Unrestricted DFT: Stability Test, Spin Density, and On-Top Pair Density
Jürgen Gräfenstein, Angelica Hjerpe, Elfi Kraka et al. · The Journal of Physical Chemistry A · 2000 · 252 citations
Natural Sciences, Chemistry, Physics +16
Can Unrestricted Density-Functional Theory Describe Open Shell Singlet Biradicals?
Jürgen Gräfenstein, Elfi Kraka, Michael Filatov et al. · International Journal of Molecular Sciences · 2002 · 210 citations · Full text
Symmetric Halogen Bonding Is Preferred in Solution
Anna‐Carin C. Carlsson, Jürgen Gräfenstein, Adnan Budnjo et al. · Journal of the American Chemical Society · 2012 · 179 citations
Natural Sciences, Chemistry, Medicinal Chemistry +14
The impact of the self-interaction error on the density functional theory description of dissociating radical cations: Ionic and covalent dissociation limits
Jürgen Gräfenstein, Elfi Kraka, Dieter Cremer · The Journal of Chemical Physics · 2003 · 160 citations
Natural Sciences, Chemistry, Physics +14
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