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  1. Measurements of rovibrational spectra of clusters provide physical insight only if spectral lines can be assigned to pairs of quantum states, and further insight is obtained if one can deduce the quantitative energy-level pattern. Both steps can be so difficult that some measured spectra remain unassigned, one example isorthoH2–CO. To extend the scope of spectroscopic insights, we propose to use theoretical information in interpretation of spectra. We first performed high accuracy, full-dimensional calculations of theorthoH2–CO spectrum, at the highest practically achievable levels of electronic structure theory and quantum nuclear dynamics. Then, an iterative, theory-guided method developed here allowed us to fully interpret the spectrum oforthoH2–CO, extending the range of van der Waals clusters for which spectroscopy can provide physical insights.

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    Free, publicly-accessible full text available February 23, 2025
  2. As the need for more broad-scale solutions to environmental problems is increasingly recognized, traditional hierarchical, government-led models of coordination are being supplemented by or transformed into more collaborative inter-organizational networks (i.e., collaboratives, coalitions, partnerships). As diffuse networks, such regional environmental planning and design (REPD) efforts often face challenges in sharing and using spatial and other types of information. Recent advances in semantic knowledge management technologies, such as knowledge graphs, have the potential to address these challenges. In this paper, we first describe the information needs of three multi-stakeholder REPD initiatives in the western USA using a list of 80 need-to-know questions and concerns. The top needs expressed were for help in tracking the participants, institutions, and information products relevant to the REDP’s focus. To address these needs, we developed a prototype knowledge graph based on RDF and GeoSPARQL standards. This semantic approach provided a more flexible data structure than traditional relational databases and also functionality to query information across different providers; however, the lack of semantic data expertise, the complexity of existing software solutions, and limited online hosting options are significant barriers to adoption. These same barriers are more acute for geospatial data, which also faces the added challenge of maintaining and synchronizing both semantic and traditional geospatial datastores. 
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  3. Although research on wildlife species across taxa has shown that males and females may differentially select habitat, sex-specific habitat suitability models for endangered species are uncommon. We developed sex-specific models for Bengal tigers (Panthera tigris) based on camera trapping data collected from 20 January to 22 March 2010 within Chitwan National Park, Nepal, and its buffer zone. We compared these to a sex-indiscriminate habitat suitability model to assess the benefits of a sex-specific approach to habitat suitability modeling. Our sex-specific models produced more informative and detailed habitat suitability maps and highlighted vital differences in the spatial distribution of suitable habitats for males and females, specific associations with different vegetation types, and habitat use near human settlements. Improving and refining habitat models for this and other critically endangered species provides the necessary information to meet established conservation goals and population recovery targets. 
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