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Cadmium-rich intermetallic phases RhCd - structure, magnetic behavior, Eu Mössbauer and Cd solid-state NMR spectroscopy.
Dalton Trans
January 2025
Institut für Anorganische und Analytische Chemie, Universität Münster, Corrensstraße 30, 48149 Münster, Germany.
The cadmium-rich intermetallic compounds RhCd ( = Ca, Sr, Y, La-Nd, Sm-Lu) were synthesized from the elements in sealed tantalum tubes. The elements were reacted in an induction furnace and the samples were post-annealed to increase phase purity and crystallinity. The RhCd phases crystallize with the cubic CeCrAl type structure, space group 3̄.
View Article and Find Full Text PDFCore-Excited States for Open-Shell Systems in Similarity-Transformed Equation-of-Motion Theory.
J Chem Theory Comput
January 2025
Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, 45470 Mülheim an der Ruhr, Germany.
X-ray absorption spectroscopy (XAS) is a powerful method for exploring molecular electronic structure by exciting core electrons into higher unoccupied molecular orbitals. In this study, we present the first integration of the spin-unrestricted similarity-transformed equation-of-motion coupled cluster method (CVS-USTEOM-CCSD) for core-excited and core-ionized states into the ORCA quantum chemistry package. Using the core-valence separation (CVS) approach, we evaluate the accuracy of CVS-USTEOM-CCSD across 13 open-shell organic systems, covering over 20 core excitations with diverse spin multiplicities (doublet, triplet, and quartet).
View Article and Find Full Text PDFUrban sensing in the era of large language models.
Innovation (Camb)
January 2025
Institute of Remote Sensing and Geographical Information System, School of Earth and Space Sciences, Peking University, Beijing 100871, China.
Urban sensing has become increasingly important as cities evolve into the centers of human activities. Large language models (LLMs) offer new opportunities for urban sensing based on commonsense and worldview that emerged through their language-centric framework. This paper illustrates the transformative impact of LLMs, particularly in the potential of advancing next-generation urban sensing for exploring urban mechanisms.
View Article and Find Full Text PDFA robust reduction in near-surface wind speed after volcanic eruptions: Implications for wind energy generation.
Innovation (Camb)
January 2025
Regional Climate Group, Department of Earth Sciences, University of Gothenburg, 40530 Gothenburg, Sweden.
Near-surface wind speed (NSWS), a determinant of wind energy, is influenced by both natural and anthropogenic factors. However, the specific impacts of volcanic eruptions on NSWS, remain unexplored. Our simulations spanning the last millennium reveal a consistent 2-year global NSWS reduction following 10 major historical eruptions.
View Article and Find Full Text PDFIncorporating Indium Oxide into Microplasma Reactor for CO Conversion to Methanol.
Small Methods
January 2025
Key Laboratory of UV-Emitting Materials and Technology of Chinese Ministry of Education, Northeast Normal University, Changchun, 130024, China.
The clean conversion of CO is a strategic issue for addressing global climate change and advancing energy transformation. While the current clean CO conversion is limited to the H pyrolysis process, using HO as a proton source is more promising and sustainable. A microplasma discharge method is developed, driven by electricity, and utilized for CO conversion with HO.
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