Search
Now showing items 1501-1546 of 1546
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)
Primary metal production operates with large tonnages and takes advantage of economies of scale. Metal recycled from low-value waste streams, competing in the same global metal market as primary production, will be more ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)
Sending ethane over Cu-oxo sites in zeolites allows for the selective formation of ethylene in a stepwise reaction at mild conditions. Experimental results indicate that the reaction proceeds via the formation of ethanol ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)
We provide herein a review and in-depth derivation and discussion of a surface brick layer model (SBLM) that scales the conductance of a surface layer – such as protonic conductance in adsorbed water – and the macroscopic ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)
The reactivity of HMg+, HMgCl, and HMgCl2− in hydride transfer reactions with CO2 and CH2O were studied by means of the reverse reactions—decarboxylation of HCO2MgCln+/0/− and deformylation of CH3OMgCln+/0/− (n = 0–2)—by ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)
Hamiltonian hybrid particle–field molecular dynamics is a computationally efficient method to study large soft matter systems. In this work, we extend this approach to constant-pressure (NPT) simulations. We reformulate ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2023)
The roots of Salvia miltiorrhiza have been used in Traditional Chinese Medicine for thousands of years. However, tons of aerial parts of this plant are usually discarded in the production of roots preparation. To make ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)
We report a physicochemical investigation of the lipid transport properties of model lipid membranes in the presence of the antimicrobial peptide indolicidin through comparisons of experimental SANS/SAXS scattering techniques ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)
Using small-angle scattering with either X-ray or neutron sources has become common in the investigation of soft-matter systems. These experiments provide information about the coarse shape of the scattered objects, but ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)
Green and scalable mechanochemical synthesis of antiperovskite (Li 2 Fe)SO cathode.
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)
Peptide–lipid interactions play an important role in defining the mode of action of drugs and the molecular mechanism associated with many diseases. Model membranes consisting of simple lipid mixtures mimicking real cell ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2024)
Production of soluble proteins is essential for structure/function studies; however, this usually requires milligram amounts of protein, which can be difficult to obtain with traditional expression systems. Recently, the ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)
Often nanostructures formed by self-assembly of small molecules based on hydrophobic interactions are rather unstable, causing morphological changes or even dissolution when exposed to changes in aqueous media. In contrast, ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)
Abstract Herein, we report two new COOH‐functionalized metal‐organic frameworks (MOFs) of composition [M 6 O 4 (OH) 6 (PMA) 2 (H 2 PMA)]×H 2 O, M=Zr, Hf), denoted CAU‐61, synthesized by using pyromellitic acid (H 4 PMA), ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2024)
Li intercalation and graphite stacking have been extensively studied because of the importance of graphite in commercial Li-ion batteries. Despite this attention, there are still questions about the atomistic structures ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)
With the use of proton-NMR and powder XRD (XRPD) studies, the suitability of specific Au-focused electron beam induced deposition (FEBID) precursors has been investigated with low electron energy, structure, excited states ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)
Ab initio molecular dynamics simulations are used to explore tetrahydrofuran (THF) solutions containing pure LiCl and LiCl with CH3MgCl, as model constituents of the turbo Grignard reagent. LiCl aggregates as Li4Cl4, which ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)
Molecules and Computer: Chemistry Calculations in Class (MC4) is a computational laboratory intended for final-year high school or undergraduate students. The topic is the antioxidant potential of anthocyanidins, which is ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)
Selective reduction of CO2 is an efficient solution for producing nonfossil-based chemical feedstocks and simultaneously alleviating the increasing atmospheric concentration of this greenhouse gas. With this aim, molecular ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)
Understanding and mastery of Transient Kinetics in the context of multi-scale transport-reaction systems employed in catalysis is one of the ultimate frontiers in chemical science and engineering. In this perspective, we ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)
The NASA North Atlantic Aerosols and Marine Ecosystems Study (NAAMES) ship and aircraft field campaign deployed to the western subarctic Atlantic between the years 2015 and 2018. One of the primary goals of NAAMES is to ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)
The valorization of CO2 to produce high-value chemicals, such as methanol and hydrocarbons, represents key technology in the future net-zero society. Herein, we report further investigation of a PdZn/ZrO2 + SAPO-34 catalyst ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)
We present HylleraasMD (HyMD), a comprehensive implementation of the recently proposed Hamiltonian formulation of hybrid particle-field molecular dynamics. The methodology is based on a tunable, grid-independent length-scale ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)
Molecular dynamics (MD) is a computational methodology in which the dynamical behavior of systems of interacting atoms and molecules is investigated by integrating the corresponding classical equations of motion. The ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)
Metal–organic frameworks (MOFs) are nanoporous materials composed of organic linkers and inorganic nodes. The large variety of linkers and nodes and the multiple ways to combine them make MOFs highly tunable materials, ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)
The Berry curvature is essential in Born–Oppenheimer molecular dynamics, describing the screening of the nuclei by the electrons in a magnetic field. Parts of the Berry curvature can be understood as the external magnetic ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)
A combination of spectroscopic, chromatographic and computational approaches was employed to investigate the reaction of several diselenides with a thiolate nucleophile, leading to the breaking of the selenium–selenium ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2023)
The use of powder X-ray diffraction (PXRD) coupled with lattice parameter refinement is used to investigate the crystal structure of Sn-Beta materials. A newly developed semiempirical PXRD model with a reduced tetragonal ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2024)
Crystallization under confinement is commonplace in nature and offers new pathways to engineer crystals with the desired morphologies in a controlled and reproducible manner. In this work, we demonstrate the electrochemically ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2024)
Obtaining rapid mineralisation is a challenge in current bone graft materials, which has been attributed to the difficulty of guiding the biological processes towards osteogenesis. Amelogenin, a key protein in enamel ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2023)
In truncated coupled-cluster (CC) theories, non-variational and/or generally complex ground-state energies can occur. This is due to the non-Hermitian nature of the similarity transformed Hamiltonian matrix in combination ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2023)
A semiclassical theory of small oscillations is developed for nuclei that are subject to velocity-dependent forces in addition to the usual interatomic forces. When the velocity-dependent forces are due to a strong magnetic ...
(Doctoral thesis / Doktoravhandling, 2024)
Better waste management for waste incineration ash is a pressing need. Disposal sites for hazardous waste are being filled up by incineration ash, and opening new sites is difficult. Meanwhile, valuable resources in the ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)
When learning chemistry, students must learn to extract chemical information from mathematical expressions. However, chemistry students’ exposure to mathematics often comes primarily from pure mathematics courses, which ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2023)
Hybrid particle–field molecular dynamics is a molecular simulation strategy, wherein particles couple to a density field instead of through ordinary pair potentials. Traditionally considered a mean-field theory, a momentum ...
(Journal article / Tidsskriftartikkel / AcceptedVersion; Peer reviewed, 2023)
(Master thesis / Masteroppgave, 2023)
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)
We provide an overview of a pressure cell designed to apply uniaxial pressure to single crystals for the study, by neutron scattering techniques, of strongly correlated magnetic systems and, in particular, quantum magnets. ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)
This comment addresses a systematic error in the potential energy surfaces of the title reactions presented in the original article by Alkorta et al. The NO3 radical has D3h symmetry in the electronic ground state while ...
(Master thesis / Masteroppgave, 2023)
Because of the limited number of antibiotics available and the similarities in their activity and mode of action, considerable nonclinical and clinical research is being spent in the discovery and development of new and ...
(Master thesis / Masteroppgave, 2024)
Combating resistant bacteria and fungi with hybrid drugs Restricted Access
(Master thesis / Masteroppgave, 2024)
Order-to-Disorder Transition and Hydrogen Bonding in the Jahn-Teller Active NH4CrF3 Fluoroperovskite
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2024)
Large quantities of high-purity NH4CrF3 have been synthesized using a wet-chemical method, and its structural chemistry and magnetic properties are investigated in detail for the first time. NH4CrF3 is a tetragonal ...
(Master thesis / Masteroppgave, 2023)
Denne masteroppgaven beskriver syntese og karakterisering av lysfølsomme ligander for metall kompleks og funksjonalisering av MOF. Oppgaven beskriver vellykket syntese av 2 ligander og et forsøk på et tredje. Det tredje ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2023)
ZnO–ZrO2 mixed oxide (ZnZrOx) catalysts are widely studied as selective catalysts for CO2 hydrogenation into methanol at high-temperature conditions (300–350 °C) that are preferred for the subsequent in situ zeolite-catalyzed ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2024)
The design of a time-of-flight neutron reflectometer proposed for the new generation of compact neutron sources is presented. The reflectometer offers the possibility to use spin-polarized neutrons. The reflectometer design ...
(Journal article / Tidsskriftartikkel / PublishedVersion; Peer reviewed, 2024)
Metal-ion batteries, particularly lithium-ion (Li-ion) and sodium-ion (Na-ion) batteries, are currently among the most compelling technologies for energy storage. However, the growing demands driven by wide implementation ...