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Now showing items 21-30 of 78
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2017)
The synthesis, characterization and catalytic performance of offretite with four distinct crystal morphologies (oval, hexagonal, broccoli-like, and spherical) are presented. As a member of the ABC-6 family of zeolite ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
A recently proposed variation principle [N. I. Gidopoulos, Phys. Rev. A 83, 040502(R) (2011)] for the determination of Kohn–Sham effective potentials is examined and extended to arbitrary electron-interaction strengths and ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2017)
In the past few decades, advances in colloidal nanoparticle synthesis have created new possibilities for the preparation of supported model catalysts. However, effective removal of surfactants is a prerequisite to evaluate ...
Inner projection techniques for the low-cost handling of two-electron integrals in quantum chemistry
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2017)
The density-fitting technique for approximating electron-repulsion integrals relies on the quality of auxiliary basis sets. These are commonly obtained through data fitting, an approach that presents some shortcomings. On ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
Metallacyclobutanes are an important class of organometallic intermediates, due to their role in olefin metathesis. They can have either planar or puckered rings associated with characteristic chemical and physical properties. ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
Polychlorinated biphenyls (PCBs) are persistent organic compounds that are ubiquitously found in the environment. Their use and manufacture were restricted or banned in many countries in the 1970±1980s, however, they still ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2017)
The electrochemical performance of Co3O4/CeO2 mixed oxide materials as electrodes, when exposed to H2S/H2O atmospheres, was examined employing a proton conducting symmetrical cell, with BaZr0.7Ce0.2Y0.1O3 (BZCY72) as the ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2017)
Methanol syntheses at low temperature in a liquid medium present an opportunity for full syngas conversion per pass. The aim of this work was to study the role of solvents polarity on low-temperature methanol synthesis ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2017)
The major virulence factor of enterotoxigenic Escherichia coli is the heat-labile enterotoxin (LT), an AB5 toxin closely related to the cholera toxin. LT consists of six subunits, the catalytically active A-subunit and ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2017)
The influence of annealing on the microstructure and electrical properties of undoped polycrystalline ZnSb samples has been investigated by different experimental techniques. In situ XRD in an argon at- mosphere showed ...