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Now showing items 201-210 of 829
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
The exact Kohn-Sham iteration of generalized density-functional theory in finite dimensions with a Moreau-Yosida regularized universal Lieb functional and an adaptive damping step is shown to converge to the correct ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
Due to its appreciable electro-optical properties, potassium tantalate niobate (KTN) thin films of high quality are expected to enhance the functionality of integrated photonics optical modulators. Unfortunately, they are ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Marine sponges and soft corals have yielded novel compounds with antineoplastic and antimicrobial activities. Their mechanisms of action are poorly understood, and in most cases, little relevant experimental evidence is ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2020)
Abstract
The fundamental interactions underlying citrate-mediated chemical stability of metal nanoparticles, and their surface characteristics dictating particle dispersion/aggregation in aqueous solutions, are ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2018)
Mo/H‐ZSM‐5 has been studied using a combination of operando X‐ray absorption spectroscopy and High Resolution Powder Diffraction in order to study the evolution of Mo species and their location within the zeolite pores. ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2019)
The formulation of the time-dependent Schrödinger equation in terms of coupled-cluster theory is outlined, with emphasis on the bivariational framework and its classical Hamiltonian structure. An indefinite inner product ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2019)
Mineral inclusions are common and have been widely used to investigate complex geological history. When a rock undergoes cooling and decompression after the entrapment of an inclusion into a host mineral, residual pressure ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2019)
Many laboratory courses consist of short and seemingly unconnected individual laboratory exercises. To increase the course consistency, relevance, and student engagement, we have developed a research‐inspired and project‐based ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2019)
We apply inline electron holography to investigate the electrostatic potential across an individual BaZr0.9Y0.1O3 grain boundary. With holography, we measure a grain boundary potential of −1.3 V. Electron energy loss ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2018)
External non-uniform magnetic fields acting on molecules induce non-collinear spin densities and spin-symmetry breaking. This necessitates a general two-component Pauli spinor representation. In this paper, we report the ...