{"paper":{"title":"Spectroscopic experimental and theoretical study of Uranyl(VI) in an aqueous system - Molecular modelling meets environmental protection","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Jakub Vi\\v{s}\\v{n}\\'ak, Luk\\'a\\v{s} Sobek, Nils Hoth","submitted_at":"2018-09-23T19:48:59Z","abstract_excerpt":"Time-Resolved Laser-Induced Fluorescence Spectroscopy (TRLFS) and cryo-TRLFS are sensitive tools for \\textit{in situ} speciation of low-level uranium in aqueous samples, including natural waters. To tailor, often ill-conditioned (i.e., leading to ambiguous interpretations), multi-linear analysis, first-principles based theoretical computation (Molecular Dynamics and Quantum Chemistry) of luminescence spectra would be beneficial. We present a methodology to simulate TRLFS and cryo-TRLFS spectra and present vibrationally resolved luminescence spectra for aquo complex [UO$_2$(H$_2$O)$_5$]$^{2+}$("},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1811.10456","kind":"arxiv","version":1},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"}