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(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2018)
A one pot catalytic system which involves Cu and an alkoxide co-catalyst has been used for methanol (MeOH) synthesis at low temperature. Up to about 92% syngas conversion per pass and more than 90% selectivity to MeOH (the ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2018)
The catalytic mechanism of the cyclic amidohydrolase isatin hydrolase depends on a catalytically active manganese in the substrate-binding pocket. The Mn2+ ion is bound by a motif also present in other metal dependent ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2016)
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2015)
Mathematical models are investigated and suggested for the calculation of the elastic stiffness of polymer nanocomposites. Particular emphasis is placed on the effect on the elastic stiffness from agglomerates and the ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2015)
Neurons communicate via chemical signals called neurotransmitters (NTs). The numerous identified NTs can have very different physiochemical properties (solubility, charge, size etc.), so quantification of the various NT ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2015)
We used multiple sets of simulations both at the atomistic and coarse-grained level of resolution to investigate interaction and binding of α-tochoperol transfer protein (α-TTP) to phosphatidylinositol phosphate lipids ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2014)
In the title compound, C9H9IO3, the molecules are close to planar [maximum deviation from benzene ring plane = 0.229 (5) Å for the methyl carboxylate C atom] with the methyl groups oriented away from each other. In the ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2014)
We present the first analytic implementation of cubic and quartic force constants at the level of Kohn–Sham density-functional theory. The implementation is based on an open-ended formalism for the evaluation of energy ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2014)
Two forms, α and β, are known for the racemic amino acid DL-methionine, C5H11NO2S. The phase transition between them, taking place around 326 K, is associated with sliding at the central interfaces of the hydrophobic ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2015)
The Ruddlesden–Popper (RP3) type oxides, La4Co3O10+δ and La4Ni3O10+δ, form a complete solid solution. Powder X-ray and neutron diffraction data show that La4(Co1−xNix)3O10+δ is isostructural to the monoclinic La4Co3O10+δ ...