{"id":"W4383186882","doi":"10.1063/5.0152203","title":"Helical dichroism in enantiomeric solutions","year":2023,"lang":"en","type":"article","venue":"The Journal of Chemical Physics","topic":"Molecular spectroscopy and chirality","field":"Chemistry","cited_by":9,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ottawa","funders":"","keywords":"Circular dichroism; Enantiomer; Crystallography; Chemistry; Stereochemistry; Materials science","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002294126,0.0002956717,0.0001810813,0.0002978514,0.0002900732,0.0004901637,0.0001937661,0.0002972976,0.0009172938],"category_scores_gemma":[0.0004115172,0.0002333736,0.0001151104,0.0001692077,0.0004381742,0.0003118065,0.0002826497,0.0007179573,0.0003075935],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002743817,"about_ca_system_score_gemma":0.0002255899,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003716505,"about_ca_topic_score_gemma":0.0006670026,"domain_scores_codex":[0.999782,0.00004703712,0.00001150364,0.00006535267,0.00006422342,0.00002975306],"domain_scores_gemma":[0.9997393,0.00009193145,0.0000823845,0.00001736345,0.00004540376,0.00002363516],"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":[0.00002250284,0.000006112429,0.0001785503,0.0000310326,0.000002030117,0.0000530054,0.00004718545,0.0001082884,0.9966913,0.0006263286,0.00005407455,0.002179534],"study_design_scores_gemma":[0.000004311106,0.0000429385,0.0003334562,0.000004300355,0.000003024057,0.0001042179,0.00003049648,0.0010482,0.9975032,0.0001712651,0.0007501635,0.000004523497],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9588912,0.002075934,0.02847198,0.0003827448,0.00007697986,0.00004759206,0.0001971532,0.0002251135,0.009631463],"genre_scores_gemma":[0.9858953,0.0009451194,0.01095608,0.0001745217,0.00001757735,0.00002033547,0.0000719403,0.00002415552,0.001894895],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0009172938,"threshold_uncertainty_score":0.003068626,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02108200336671912,"score_gpt":0.2756028556030677,"score_spread":0.2545208522363486,"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."}}