Search
Now showing items 1-10 of 271
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
Chemical models must correctly calculate the ozone formation rate, P(O3), to accurately predict ozone levels and to test mitigation strategies. However, air quality models can have large uncertainties in P(O3) calculations, ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
Land and atmospheric initial conditions of the Weather Research and Forecasting (WRF) model are often interpolated from a different model output. We perform case studies during NASA's SEAC4RS and DISCOVER-AQ Houston airborne ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
The Schlenk equilibrium is a complex reaction governing the presence of multiple chemical species in solution of Grignard reagents. The full characterization at the molecular level of the transformation of CH3MgCl into ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
Fluorescence polarization (FP) is a highly regarded technique for studying drug–protein interactions, but has limited value regarding protein mixtures. As a novel approach to drug target discovery, the possibility of ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
PSL1a is a lectin from the mushroom Polyporus squamosus that binds to sialylated glycans and glycoconjugates with high specificity and selectivity. In addition to its N-terminal carbohydrate-binding domain, PSL1a possesses ...
(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, 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 ...