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Creators/Authors contains: "Seifert, Nathan"

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  1. Weather ballooning with radiosonde payloads can provide field-based, observational meteorological data for operational weather forecasts and research on the atmosphere and the climate. Despite the relatively low initial capital costs when comparing to aircraft/satellite methods, the costs of ground stations/trackers (GSTs) receiving and decoding the radiosonde telemetry may pose a significant financial challenge to institutions with limited resources and to flight missions with high temporal resolution (launch intervals of less than 3 hours). We conducted a Radiosonde and Ground Station/Tracker Intercomparison (RGSTI) study in April 2025 to evaluate some of the current low-cost GSTs options and the Sondehub (SH) multi-receiver radiosonde tracking network. Although yielding varied data based on radiosonde models, SH demonstrated less dependence on antenna alignment, longer radiosonde tracking and data telemetry, and the capacity of tracking multiple radiosondes with minimal hardware requirements and financial barriers. Our results provide a comprehensive review on the data matrix of different radiosonde/GST combinations and recommendations that may benefit the planning of future high temporal resolution radiosonde campaigns by the high altitude ballooning community. 
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    Free, publicly-accessible full text available September 14, 2026
  2. Gas phase homodimers of 3,3,3-trifluoro-1,2-epoxypropane (TFO), a molecule which has shown promise as an effective chiral tag for determining the absolute stereochemistry and the enantiomeric composition of chiral analytes, are explored using a variety of quantum chemistry models and rotational spectroscopy. The potential surface governing the interaction of the two molecules is rapidly explored using the artificial bee colony algorithm for homodimer candidates that are subsequently optimized by quantum chemistry methods. Although all model chemistries employed agree that the lowest energy form of the heterochiral homodimer of TFO ( RS or SR ) is lower in energy than that of the homochiral dimer ( RR or SS ), the energy spacings among the lower energy isomers of each and indeed the absolute energy ordering of the isomers of each are very model dependent. The experimental results suggest that the B3LYP-D3BJ/def2-TZVP model chemistry is the most reliable and provides excellent estimates of spectroscopic constants. In accord with theoretical predictions the non-polar lowest energy form of the heterochiral homodimer is not observed, while two isomers of the homochiral dimer are observed and spectroscopically characterized. Observation and assignment of the spectra for all three unique singly-substituted 13 C isotopologues, in addition to that of the most abundant isotopologue for the lowest energy isomer of the homochiral homodimer of TFO, provide structural information that compares very favorably with theoretical predictions, most notably that the presence of three fluorine atoms on the trifluoromethyl group removes their direct participation in the intermolecular interactions, which instead comprise two equivalent pairs of CH⋯O hydrogen bonds between the two epoxide rings augmented by favorable dispersion interactions between the rings themselves. 
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  3. Previous microwave studies of naphthol monomers were supplemented by measuring spectra of all 13 C mono-substituted isotopologues of the cis - and trans -conformers of 1-naphthol and 2-naphthol in their natural abundances. The resulting data were utilized to determine substitution structures and so-called semi-experimental effective structures. Results from electronic structure calculations show that the OH group of cis -1-naphthol points ≈6° out of plane, which is consistent with the inertial defect data of cis - and trans -1-naphthol. The non-planarity of cis -1-naphthol is a result of a close-contact H-atom–H-atom interaction. This type of H–H interaction has been the subject of much controversy in the past and we provide here an in-depth theoretical analysis of it. The naphthol system is particularly well-suited for such analysis as it provides internal standards with its four different isomers. The methods used include quantum theory of atoms in molecules, non-covalent interactions, independent gradient model, local vibrational mode, charge model 5, and natural bond orbital analyses. We demonstrate that the close-contact H–H interaction is neither a purely attractive nor repulsive interaction, but rather a mixture of the two. 
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  4. Abstract The role of non‐covalent interactions (NCIs) has broadened with the inclusion of new types of interactions and aplethoraof weak donor/acceptor partners. This work illustrates the potential of chirped‐pulse Fourier transform microwave technique, which has revolutionized the field of rotational spectroscopy. In particular, it has been exploited to reveal the role of NCIs’ in the molecular self‐aggregation of difluoromethane where a pentamer, two hexamers and a heptamer were detected. The development of a new automated assignment program and a sophisticated computational screening protocol was essential for identifying the homoclusters in conditions of spectral congestion. The major role of dispersion forces leads to less directional interactions and more distorted structures than those found in polar clusters, although a detailed analysis demonstrates that the dominant interaction energy is the pairwise interaction. The tetramer cluster is identified as a structural unit in larger clusters, representing the maximum expression of bond between dimers. 
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