{"id":"W2019105747","doi":"10.1021/ja066128j","title":"Chiral Self-Recognition:  Direct Spectroscopic Detection of the Homochiral and Heterochiral Dimers of Propylene Oxide in the Gas Phase","year":2006,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Molecular Spectroscopy and Structure","field":"Chemistry","cited_by":88,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"Deutscher Akademischer Austauschdienst","keywords":"Chemistry; Conformational isomerism; Ab initio; Ab initio quantum chemistry methods; Hydrogen bond; Dimer; Intermolecular force; Crystallography; Computational chemistry; Molecule; Organic chemistry","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":[0.00009905473,0.0001696018,0.0001187898,0.000085192,0.000146933,0.0001298033,0.00027148,0.0001821268,0.0008290565],"category_scores_gemma":[0.000153187,0.0001193079,0.0000947748,0.00007018055,0.0002294048,0.0001839311,0.0001145673,0.0002815048,0.0001191171],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001026765,"about_ca_system_score_gemma":0.00006418469,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000300046,"about_ca_topic_score_gemma":0.0003785735,"domain_scores_codex":[0.9999275,0.00001166007,0.000001193466,0.00002047787,0.00002718378,0.00001198221],"domain_scores_gemma":[0.9999526,0.00002087345,0.0000111558,0.000006484757,0.00000444747,0.000004502127],"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":[0.00006051623,0.00003065065,0.001280419,0.0000460033,0.000006472528,0.00007071173,0.00007543767,0.0009505022,0.9926476,0.0008471415,0.00009003058,0.003894489],"study_design_scores_gemma":[0.00001717356,0.0001577531,0.003612587,0.00000339529,0.000008142981,0.0001722386,0.00007371266,0.02532161,0.9696373,0.0002967055,0.0006895342,0.000009798368],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9933875,0.0002064496,0.005115998,0.00003373184,0.00000829515,0.000005925428,0.00002499034,0.00004587123,0.001171213],"genre_scores_gemma":[0.9962524,0.0001152726,0.003317572,0.00001038281,0.000003304829,0.000003779524,0.00003279534,0.000007429082,0.0002571546],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0008290565,"threshold_uncertainty_score":0.002773523,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0041148688060896,"score_gpt":0.228224655017279,"score_spread":0.2241097862111894,"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."}}