{"id":"W3039206642","doi":"10.1063/5.0012531","title":"Spectra of CO2–N2 dimer in the 4.2 μm region: Symmetry breaking of the intramolecular CO2 bend, the intermolecular bend, and higher <i>K</i>-values for the fundamental","year":2020,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Spectroscopy and Laser Applications","field":"Chemistry","cited_by":15,"is_retracted":false,"has_abstract":true,"ca_institutions":"National Research Council Canada; University of Calgary","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Dimer; Intramolecular force; Intermolecular force; Symmetry breaking; Spectral line; Symmetry (geometry); Chemistry; Crystallography; Materials science; Physics; Stereochemistry; Nuclear magnetic resonance; Molecule; Mathematics; Geometry; Quantum mechanics","routes":{"ca_aff":true,"ca_fund":true,"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":[0.0003106753,0.0001679339,0.0002629353,0.000007843179,0.000129212,0.00003154512,0.00106734,0.00006271836,0.00002271496],"category_scores_gemma":[0.00005740675,0.00007044216,0.0002586838,0.000246563,0.0005817699,0.00005333003,0.0001449879,0.0006681461,4.18375e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003252717,"about_ca_system_score_gemma":0.00003880405,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001514288,"about_ca_topic_score_gemma":7.33816e-7,"domain_scores_codex":[0.9987888,0.0000826076,0.0004401424,0.0001230816,0.000383402,0.0001819481],"domain_scores_gemma":[0.9981835,0.0007560591,0.000491999,0.0004524495,0.00007555285,0.00004042966],"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":[0.0002603705,0.0001378959,0.0001840001,0.00007611734,0.0002349529,0.000001863018,0.002295957,0.00005819427,0.9873576,0.007049968,0.001758567,0.0005845746],"study_design_scores_gemma":[0.0006185593,0.00006257133,0.0002126639,0.00009929618,0.0004073383,0.00005233257,0.001510982,0.0003950397,0.9827152,0.01237572,0.001454229,0.00009600798],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9820987,0.001434996,0.001501092,0.01346324,0.00005446311,0.000262154,0.00002371436,0.00000606645,0.001155557],"genre_scores_gemma":[0.9982432,0.00008817798,0.0000573433,0.001142722,0.0004262865,0.00001022745,0.000002471629,0.00002084854,0.000008703645],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0161445,"threshold_uncertainty_score":0.29028,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01767699670493381,"score_gpt":0.2574265322312613,"score_spread":0.2397495355263275,"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."}}