Now showing items 1-20 of 415

    • 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)
    • 2-Chloro-2-phenylethylammonium chloride 

      Lejon, Tore Sigvard; Ingebrigtsen, Truls Erik; Hansen, Lars Kr (Journal article; Tidsskriftartikkel; Peer reviewed, 2006)
    • Methyl 5-nitro-2-(phenylamino)pyridine-4-carboxylate 

      Tjosas, F; Hansen, Lars Kr; Tjosås, Freddy; Fiksdahl, A (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]
    • Pyridine-3-carbaldehyde 2-pyridylhydrazone 

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

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

      Stockmann, V; Hansen, Lars Kr; Fiksdahl, A (Journal article; Tidsskriftartikkel; Peer reviewed, 2007)
    • 4-Hydroxybenzamide 

      Hansen, Lars Kr; 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)
    • 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)
    • 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, ...
    • 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) ...
    • 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 ...
    • Unique core genomes of the bacterial family vibrionaceae: insights into niche adaptation and speciation 

      Kahlke, Tim; Goesmann, Alexander; Hjerde, Erik; Willassen, Nils Peder; Haugen, Peik (Journal article; Tidsskriftartikkel; Peer reviewed, 2012)
      The criteria for defining bacterial species and even the concept of bacterial species itself are under debate, and the discussion is apparently intensifying as more genome sequence data is becoming available. However, it is still unclear how the new advances in genomics should be used most efficiently to address this question. In this study we identify genes that are common to any group of genomes ...
    • Molecular Characterization of Cold Adaptation of Membrane Proteins in the Vibrionaceae Core-Genome 

      Kahlke, Tim; Thorvaldsen, Steinar (Journal article; Tidsskriftartikkel; Peer reviewed, 2012)
      Cold-adaptation strategies have been studied in multiple psychrophilic organisms, especially for psychrophilic enzymes. Decreased enzyme activity caused by low temperatures as well as a higher viscosity of the aqueous environment require certain adaptations to the metabolic machinery of the cell. In addition to this, low temperature has deleterious effects on the lipid bilayer of bacterial membranes ...
    • The EMEP MSC-W chemical transport model - technical description 

      Simpson, David; Benedictow, Anna; Berge, Halldis; Bergström, Robert; Emberson, Lisa D.; Fagerli, Hilde; Flechard, Chris R.; Hayman, Garry D.; Gauss, Michael; Jonson, Jan Eiof; Jenkin, Michael E.; Nyiri, Agnes; Richter, Cornelia; Semeena, Valiyavetil S.; Tsyro, Svetlana; Tuovinen, Juha Pekka; Valdebenito, Alvaro; Wind, Peter (Journal article; Tidsskriftartikkel; Peer reviewed, 2012)
      The Meteorological Synthesizing Centre-West (MSC-W) of the European Monitoring and Evaluation Programme (EMEP) has been performing model calculations in support of the Convention on Long Range Transboundary Air Pollution (CLRTAP) for more than 30 years. The EMEP MSC-W chemical transport model is still one of the key tools within European air pollution policy assessments. Traditionally, the model ...
    • A Synthetic Route to Quaternary Pyridinium Salt-Functionalized Silsesquioxanes 

      Kostenko, Nataliya; Gottfriedsen, Jochen; Hilfert, Liane; Edelmann, Frank T (Journal article; Tidsskriftartikkel; Peer reviewed, 2012)
      A synthetic route to potentially biocidal silsesquioxanes functionalized by quaternary pyridinium functionalities has been developed. N-Alkylation reactions of the precursor compounds 4-(2-(trimethoxysilyl)ethyl)-pyridine (5) and 4-(2-trichloro-silylethyl)pyridine (6) with iodomethane, n-hexylbromide, and n-hexadecylbromide cleanly afforded the corresponding N-alkylpyridinium salts (7–10). The ...