Artikler, rapporter og annet (kjemi): Recent submissions
Now showing items 521-538 of 538
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The Methylococcus capsulatus (Bath) secreted protein, MopE*, binds both reduced and oxidized copper.
(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 ... -
Expression profiling reveals Spot 42 small RNA as a key regulator in the central metabolism of Aliivibrio salmonicida
(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 ... -
Relativistic four-component calculations of Buckingham birefringence using London atomic orbitals
(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?
(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. -
The optical activity of beta, gamma-enones in ground and excited states using circular dichroism and circularly polarized luminescence
(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 ... -
Gauge-origin independent calculations of Jones birefringence
(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, ... -
7-Azathieno[2,3-c] cinnoline
(Journal article; Tidsskriftartikkel; Peer reviewed, 2007) -
2-Chloro-2-phenylethylammonium chloride
(Journal article; Tidsskriftartikkel; Peer reviewed, 2006) -
4-Hydroxybenzamide
(Journal article; Tidsskriftartikkel; Peer reviewed, 2007) -
7-azathieno[3,2-c]cinnoline
(Journal article; Tidsskriftartikkel; Peer reviewed, 2007) -
Methyl 5-nitro-2-(phenylamino)pyridine-4-carboxylate
(Journal article; Tidsskriftartikkel; Peer reviewed, 2006) -
Pyridine-3-carbaldehyde 2-pyridylhydrazone
(Journal article; Tidsskriftartikkel; Peer reviewed, 2007) -
Redetermination of p-ethoxyacetanilide (phenacetin)
(Journal article; Tidsskriftartikkel; Peer reviewed, 2006) -
3-(Acetylamino)benzoic acid
(Journal article; Tidsskriftartikkel; Peer reviewed, 2007) -
Redetermination and H-atom refinement of (S)-(+)-ibuprofen. Corrigendum
(Journal article; Tidsskriftartikkel; Peer reviewed, 2006)[Erratum to document cited in CA140:010932] -
N-(3-hydroxyphenyl)acetamide
(Journal article; Tidsskriftartikkel; Peer reviewed, 2006) -
Redetermination of 3-hydroxybenzamide
(Journal article; Tidsskriftartikkel; Peer reviewed, 2007) -
Antibiotikaresistent - hva nå?
(Conference object; Konferansebidrag, 2010-09-02)