We show that medium-sized Gaussian basis sets lead to significant intramolecular basis set superposition errors at Hartree–Fock and density functional levels of theory, with artificial stabilization of compact over extended conformations for a 186 atom deca-peptide. Errors of ∼80 and ∼10 kJ/mol are observed, with polarized double zeta and polarized triple zeta quality basis sets, respectively. Two ...

Snow avalanches are a hazard and ecological disturbance across mountain landscapes worldwide. Understanding how avalanche frequency affects forests and vegetation improves infrastructure planning, risk management, and avalanche forecasting. We implemented a novel approach using lidar, aerial imagery, and a random forest model to classify imagery-observed vegetation within avalanche paths in southern ...

The deglaciation of the Svalbard-Barents Sea Ice Sheet was driven by relative sea-level rise, the incursion of North Atlantic waters around Spitsbergen, and increasing summer insolation. However, ice retreat was inter rupted by asynchronous re-advances that occurred into high relative seas, during a period associated with warm regional waters and elevated summer temperatures. Better understanding ...

Background Subtraction (BgS) is a widely researched technique to develop online Change Detection algorithms for static video cameras. Many BgS methods have employed the unsupervised, adaptive approach of Gaussian Mixture Model (GMM) to produce decent backgrounds, but they lack proper consideration of scene semantics to produce better foregrounds. On the other hand, with considerable computational ...

Although teachers are expected to use digital tools in their mathematics teaching in many countries, little is known about preservice and inservice teachers’ digital competence, especially in relationship to specific groups of school students. Results from a survey of 394 preservice teachers and 61 inservice teachers, at three Norwegian institutions, provide information on how they considered different ...

Purpose - Resilience as a novel concept has attracted the most attention in the management of engineering systems. The main goal of engineering systems is production assurance and increasing customer satisfaction which depends on the suitable performance of mechanical equipment. “A resilient system is defined as a system that is resistant to disruption and failures and can recover itself and returns ...

Calcite, a prevalent mineral in the earth’s crust, plays a pivotal role in various geological and industrial processes, including carbon sequestration, water treatment, and enhanced oil recovery. Understanding how wettability (a crucial surface property influenced by the interaction between calcite and surrounding fluids) affects calcite’s dissolution is essential for optimizing these processes. We ...

Carbon isotope labelling of bioactive molecules is essential for accessing the pharmacokinetic and pharmacodynamic properties of new drug entities. Aryl carboxylic acids represent an important class of structural motifs ubiquitous in pharmaceutically active molecules and are ideal targets for the installation of a radioactive tag employing isotopically labelled CO₂. However, direct isotope ...

Understanding of clusters of dimethylsulfoxide (DMSO) is important in several applications in Chemistry. Despite its importance, very few studies of DMSO clusters, (DMSO)<i>_n</i> , have been reported in comparison to systems such as water clusters or methanol clusters. In order to provide further understanding of DMSO clusters, we investigated the structures and non-covalent interactions ...

limate change is opening the Arctic Ocean to increasing human impact and ecosystem changes. Arctic fjords, the region’s most productive ecosystems, are sustained by a diverse microbial community at the base of the food web. Here we show that Arctic fjords become more prokaryotic in the picoplankton (0.2–3 µm) with increasing water temperatures. Across 21 fjords, we found that Arctic fjords had ...