• Methyl 5-nitro-2-(phenylamino)pyridine-4-carboxylate 

      Hansen, Lars Kr; Tjosas, F; Tjosås, Freddy; Fiksdahl, A (Journal article; Tidsskriftartikkel; Peer reviewed, 2006)
    • 2-Chloro-2-phenylethylammonium chloride 

      Lejon, Tore Sigvard; Ingebrigtsen, Truls Erik; Hansen, Lars Kr (Journal article; Tidsskriftartikkel; Peer reviewed, 2006)
    • N-(3-hydroxyphenyl)acetamide 

      Hansen, Lars Kr; Perlovich, German; Bauer-Brandl, Annette (Journal article; Tidsskriftartikkel; Peer reviewed, 2006)
    • Redetermination of p-ethoxyacetanilide (phenacetin) 

      Hansen, Lars Kr; Perlovich, German; Bauer-Brandl, Annette D (Journal article; Tidsskriftartikkel; Peer reviewed, 2006)
    • Redetermination and H-atom refinement of (S)-(+)-ibuprofen. Corrigendum 

      Hansen, Lars Kr; Perlovich, German; Bauer-Brandl, Annette (Journal article; Tidsskriftartikkel; Peer reviewed, 2006)
      [Erratum to document cited in CA140:010932]
    • 4-Hydroxybenzamide 

      Hansen, Lars Kr; Perlovich, German; Bauer-Brandl, Annette (Journal article; Tidsskriftartikkel; Peer reviewed, 2007)
    • Pyridine-3-carbaldehyde 2-pyridylhydrazone 

      Hansen, Lars Kr; Schaper, KJ; Perlovich, German; Bauer-Brandl, Annette (Journal article; Tidsskriftartikkel; Peer reviewed, 2007)
    • 3-(Acetylamino)benzoic acid 

      Hansen, Lars Kr; Perlovich, German; Bauer-Brandl, Annette (Journal article; Tidsskriftartikkel; Peer reviewed, 2007)
    • 7-Azathieno[2,3-c] cinnoline 

      Hansen, Lars Kr; Stockmann, V; Fiksdahl, A (Journal article; Tidsskriftartikkel; Peer reviewed, 2007)
    • 7-azathieno[3,2-c]cinnoline 

      Hansen, Lars Kr; Stockmann, V; Fiksdahl, A (Journal article; Tidsskriftartikkel; Peer reviewed, 2007)
    • Redetermination of 3-hydroxybenzamide 

      Hansen, Lars Kr; Perlovich, German; Bauer-Brandl, Annette (Journal article; Tidsskriftartikkel; Peer reviewed, 2007)
    • Antibiotikaresistent - hva nå? 

      Leiros, Hanna-Kirsti S. (Conference object; Konferansebidrag, 2010-09-02)
    • The optical activity of beta, gamma-enones in ground and excited states using circular dichroism and circularly polarized luminescence 

      Pecul, Magdalena; Ruud, Kenneth (Journal article; Tidsskriftartikkel; Peer reviewed, 2011)
      The circularly polarized luminescence (CPL) and electronic circular dichroism (CD) spectroscopic parameters corresponding to the n ← π* and n → π* transitions, respectively, have been calculated for selected β,γ-enones using density functional theory. For the smallest β,γ-enone, (1R,4R)-bicyclo[2.2.1]hept-5-en-2-one (norbornenone), coupled-cluster calculations have also been carried out. The ...
    • Relativistic four-component calculations of Buckingham birefringence using London atomic orbitals 

      Bast, Radovan; Ruud, Kenneth; Rizzo, Antonio; Helgaker, Trygve (Journal article; Tidsskriftartikkel; Peer reviewed, 2011)
      We present the first relativistic study of the electric-field-gradient induced birefringence (Buckingham birefringence), with application to the series of molecules CX2 (X = O, S, Se, Te). A recently developed atomic-orbital-driven scheme for the calculation of time-dependent molecular properties using one-, two- and four-component relativistic wave functions (Bast et al. in Chem Phys 356:177, 2009) ...
    • Ab initio wavefunctions in bioinorganic chemistry : more than a succes d'estime? 

      Ghosh, Abhik (Journal article; Tidsskriftartikkel; Peer reviewed, 2011)
      Dedicated to the memory of Björn Roos (1937–2010), one of the fathers of modern multiconfigurational quantum chemistry, who also cared deeply about chemical applications, and a fun and inspiring friend to countless theoretically oriented chemists.
    • Gauge-origin independent calculations of Jones birefringence 

      Shcherbin, Dmitri; Thorvaldsen, Andreas johan; Jonsson, Dan Johan; Ruud, Kenneth (Journal article; Tidsskriftartikkel; Peer reviewed, 2011)
      We present the first gauge-origin independent formulation of Jones birefringence at the Hartree–Fock level of theory. Gauge-origin independence is achieved through the use of London atomic orbitals. The implementation is based on a recently proposed atomic orbital-based response theory formulation that allows for the use of both time- and perturbation-dependent basis sets [Thorvaldsen, Ruud, Kristensen, ...
    • Expression profiling reveals Spot 42 small RNA as a key regulator in the central metabolism of Aliivibrio salmonicida 

      Hansen, Geir Åsmund; Ahmad, Rafi; Hjerde, erik; Fenton, Christopher Graham; Willassen, Nils Peder; Haugen, Peik (Journal article; Tidsskriftartikkel; Peer reviewed, 2012)
      Spot 42 was discovered in Escherichia coli nearly 40 years ago as an abundant, small and unstable RNA. Its biological role has remained obscure until recently, and is today implicated in having broader roles in the central and secondary metabolism. Spot 42 is encoded by the spf gene. The gene is ubiquitous in the Vibrionaceae family of gamma-proteobacteria. One member of this family, Aliivibrio ...
    • The Methylococcus capsulatus (Bath) secreted protein, MopE*, binds both reduced and oxidized copper. 

      Ve, Thomas; Mathisen, Karina; Helland, Ronny; Karlsen, Odd Andre; Fjellbirkeland, Anne; Røhr, Åsmund Kjendseth; Andersson, K. Kristoffer; Pedersen, Rolf B.; Lillehaug, Johan R.; Jensen, Harald B (Journal article; Tidsskriftartikkel; Peer reviewed, 2012)
      Under copper limiting growth conditions the methanotrophic bacterium Methylococcus capsulatus (Bath) secrets essentially only one protein, MopE*, to the medium. MopE* is a copper-binding protein whose structure has been determined by X-ray crystallography. The structure of MopE* revealed a unique high affinity copper binding site consisting of two histidine imidazoles and one kynurenine, the latter ...
    • A multi-model study of impacts of climate change on surface ozone in Europe 

      Langner, J.; Engardt, M.; Baklanov, A.; Christensen, J. H.; Gauss, Michael; Geels, Camila; Hedegaard, G.B.; Nuterman, R.; Simpson, D.; Soares, J; Sofiev, M; Wind, Peter; Zakey, A. (Journal article; Tidsskriftartikkel; Peer reviewed, 2012)
      The impact of climate change on surface ozone over Europe was studied using four offline regional chemistry transport models (CTMs) and one online regional integrated climate-chemistry model (CCM), driven by the same global projection of future climate under the SRES A1B scenario. Anthropogenic emissions of ozone precursors from RCP4.5 for year 2000 were used for simulations of both present and ...
    • Anomalous dispersion analysis of inhibitor flexibility : a case study of the kinase inhibitor H-89 

      Pflug, Alexander; Johnson, Kenneth; Engh, Richard Alan (Journal article; Tidsskriftartikkel; Peer reviewed, 2012)
      With its ability to show the interactions between drug-target proteins and small-molecule ligands, X-ray crystallography is an essential tool in drug-discovery programmes. However, its usefulness can be limited by crystallization artifacts or by the data resolution, and in particular when assumptions of unimodal binding (and isotropic motion) do not apply. Discrepancies between the modelled crystal ...