{"id":"W4379794761","doi":"10.1063/5.0150823","title":"Understanding the high-resolution spectral signature of the N2–H2O van der Waals complex in the 2OH stretch region","year":2023,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Spectroscopy and Laser Applications","field":"Chemistry","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"Fonds pour la Formation à la Recherche dans l’Industrie et dans l’Agriculture; Fonds De La Recherche Scientifique - FNRS","keywords":"van der Waals force; Signature (topology); Physics; Mathematics; Geometry; Quantum mechanics; Molecule","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000410644,0.0001253691,0.0001786636,0.00001457663,0.0001636434,0.00002422523,0.000863553,0.0000813749,0.00005644624],"category_scores_gemma":[0.00004759048,0.00005435825,0.0001657348,0.0005152922,0.0002463714,0.00006490119,0.00007235203,0.0008883294,0.000003452137],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001513602,"about_ca_system_score_gemma":0.00004852412,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001373325,"about_ca_topic_score_gemma":0.000003717727,"domain_scores_codex":[0.9988384,0.00009745772,0.0003262758,0.00008615134,0.0004345948,0.0002171417],"domain_scores_gemma":[0.9985268,0.0006216131,0.0003502359,0.0004222741,0.00005133291,0.000027812],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0001017799,0.0001098658,0.0001489262,0.00003012329,0.0000742602,0.000001973478,0.002880833,0.002039876,0.9630525,0.02015563,0.01132667,0.00007758414],"study_design_scores_gemma":[0.0005625966,0.00002182164,0.0008147832,0.0001202788,0.0001871198,0.00003791188,0.003376143,0.003166951,0.6713322,0.3199046,0.0003524057,0.0001231487],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9866554,0.0000998932,0.001049351,0.01027712,0.00004967068,0.0001178817,0.00001147183,0.00001571704,0.001723461],"genre_scores_gemma":[0.9991714,0.00005035767,0.00001722581,0.0002158624,0.0004904996,0.000003362621,0.000006459594,0.00001363152,0.00003125341],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.299749,"threshold_uncertainty_score":0.3859399,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.07427169759787618,"score_gpt":0.2867717099140856,"score_spread":0.2125000123162094,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}