Browsing Institutt for kjemi by Document Types "Peer reviewed"
Now showing items 21-40 of 520
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Aminoalkyl-functionalized pyridines as high cyclic capacity CO2 absorbents
(Journal article; Peer reviewed, 2019)Recent years have witnessed a growing academic interest in development of new CO2 capture solvents to reduce the capture costs. This study focused on nine picolylamines (three commercial and six synthesized) and one ... -
An analysis of the performance of coupled cluster methods for K-edge core excitations and ionizations using standard basis sets
(Journal article; Peer reviewed, 2019)An extensive analysis has been carried out of the performance of standard families of basis sets with the hierarchy of coupled cluster methods CC2, CCSD, CC3, and CCSDT in computing selected Oxygen, Carbon, and Nitrogen ... -
An efficient algorithm for Cholesky decomposition of electron repulsion integrals
(Journal article; Peer reviewed, 2019)Approximating the electron repulsion integrals using inner projections is a well-established approach to reduce the computational demands of electronic structure calculations. Here, we present a two-step Cholesky decomposition ... -
An In Situ XAS Study of the Cobalt Rhenium Catalyst for Ammonia Synthesis
(Journal article; Peer reviewed, 2018)A cobalt rhenium catalyst active for ammonia synthesis at 400 °C and ambient pressure was studied using in situ XAS to elucidate the reducibility and local environment of the two metals during reaction conditions. The ... -
An Orbital Invariant Similarity Constrained Coupled Cluster Model
(Journal article; Peer reviewed, 2019)We present a similarity constrained coupled cluster method able to describe conical intersections between two excited electronic states of the same symmetry. For a given pair of states, this singles and doubles method ... -
Analysis, occurrence and removal efficiencies of organophosphate flame retardants (OPFRs) in sludge undergoing anaerobic digestion followed by diverse thermal treatments
(Peer reviewed; Journal article, 2023)Organophosphate flame retardants (OPFRs) are a complex group of contaminants to deal with in sewage sludge, as currently there is a lack of robust analytical methods to measure them and management strategies to remove them. ... -
Analytical Model for the Molecular Ionization Energy in an External Electric Field
(Peer reviewed; Journal article, 2024)A model for the molecular ionization energy in an applied electric field is presented on the basis of a perturbation expansion in the electric field. The leading term arises from the Frenkel approach, which is the same for ... -
Analyzing Complex Reaction Mechanisms Using Path Sampling
(Journal article; Peer reviewed, 2016)We introduce an approach to analyze collective variables regarding their predictive power for a reaction. The method is based on already available path sampling data produced by for instance transition interface sampling ... -
Anomalous diffusion in systems with concentration-dependent diffusivity: exact solutions and particle simulations
(Journal article; Peer reviewed, 2020)We explore the anomalous diffusion that may arise as a result of a concentration dependent diffusivity. The diffusivity is taken to be a power law in the concentration, and from exact analytical solutions we show that the ... -
Anomalous magnetic transport in ferromagnetic graphene junctions
(Journal article; Peer reviewed, 2011)We investigate magnetotransport in a ferromagnetic-normal-ferromagnetic graphene junction where a gate electrode is attached to the normal segment. It is shown that the charge conductance can be maximal at an antiparallel ... -
Anthropogenic and geogenic mass input of trace elements to moss and natural surface soil in Norway
(Journal article; Peer reviewed, 2018)Data sets for concentrations of up to 22 elements including Pb, Cd, Ag, As, and Hg and several rare earth elements (REEs) in moss and surface soil from all over mainland Norway are analyzed by positive matrix factorization ... -
Anti-inflammatory and antioxidant activities of Sclerochloa dura (Poaceae)
(Journal article; Peer reviewed, 2014)The plant Sclerochloa dura is traditionally used in South-East Serbia to treat menstrual disorders characterized by pain and excessive bleeding. According to subjects’ statements, a reduction in bleeding and pain is ... -
Application of Nanotechnology Incorporated with Natural Ingredients in Natural Cosmetics
(Peer reviewed; Journal article, 2022)Technology and environmental innovations always have a growing emphasis and have affected various industries. Since the cosmetics industry is highly competitive and consumers always desire innovations in products, the ... -
Arctic Ocean’s wintertime mercury concentrations limited by seasonal loss on the shelf
(Peer reviewed; Journal article, 2022)High biota mercury levels are persisting in the Arctic, threatening ecosystem and human health. The Arctic Ocean receives large pulsed mercury inputs from rivers and the atmosphere. Yet the fate of those inputs and possible ... -
Assessing and managing environmental hazards of polymers: historical development, science advances and policy options
(Peer reviewed; Journal article, 2022)Polymers are the main constituents of many materials and products in our modern world. However, their environmental safety is not assessed with the same level of detail as done for non-polymeric chemical substances. Moreover, ... -
Assessing the Persistence and Mobility of Organic Substances to Protect Freshwater Resources
(Peer reviewed; Journal article, 2022)Persistent and mobile organic substances are those with the highest propensity to be widely distributed in groundwater and thereby, when emitted at low-levels, to contaminate drinking water extraction points and freshwater ... -
Association of urinary bisphenols during pregnancy with maternal, cord blood and childhood thyroid function
(Peer reviewed; Journal article, 2021)Background Most pregnant women are exposed to bisphenols, a group of chemicals that can interfere with various components of the thyroid system. Objectives To investigate the association of maternal urinary bisphenol ... -
Associations of maternal phthalate and bisphenol urine concentrations during pregnancy with childhood blood pressure in a population-based prospective cohort study
(Peer reviewed; Journal article, 2020)Objectives Fetal exposure to phthalates and bisphenols may lead to vascular developmental adaptations, which program later cardiovascular disease. We examined the associations of fetal exposure to phthalates and bisphenols ... -
Au(III) complexes with tetradentate-cyclam-based ligands
(Peer reviewed; Journal article, 2021)Chiral cyclam (1,4,8,11-tetraazacyclotetradecane) derivatives were synthesized stepwise from chiral mono-Boc-1,2-diamines and (dialkyl)malonyl dichloride via open diamide-bis(N-Boc-amino) intermediates (65–91%). Deprotection ... -
Auxiliary donors for phenothiazine sensitizers for dye-sensitized solar cells – how important are they really?
(Journal article; Peer reviewed, 2019)Auxiliary donors are common design motifs for phenothiazine sensitizers for dye-sensitized solar cells. Despite this, there are only a few reports on their overall contribution to the photon-to-electron conversion efficiency. ...