{"id":"W2096620066","doi":"10.1021/jo3016105","title":"Stretch Effects Induced by Molecular Strain on Weakening σ-Bonds: Molecular Design of Long-Lived Diradicals (Biradicals)","year":2012,"lang":"en","type":"article","venue":"The Journal of Organic Chemistry","topic":"Synthesis and Properties of Aromatic Compounds","field":"Chemistry","cited_by":36,"is_retracted":false,"has_abstract":true,"ca_institutions":"Memorial University of Newfoundland","funders":"","keywords":"Cyclopentane; Chemistry; Ring (chemistry); Strain (injury); Quantum chemical; Computational chemistry; Ring strain; Molecular dynamics; Undecane; Crystallography; Stereochemistry; 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":[0.0002473663,0.0003355909,0.0005023875,0.0002275817,0.0002271679,0.0003386937,0.0004145427,0.0002358541,0.001967141],"category_scores_gemma":[0.0002841937,0.0001526673,0.0001859676,0.0002778007,0.0002282676,0.0003579047,0.0003418755,0.0003622618,0.0001714347],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003044922,"about_ca_system_score_gemma":0.0003722835,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00050616,"about_ca_topic_score_gemma":0.001012247,"domain_scores_codex":[0.9999249,0.00001391592,0.000004595518,0.00001412992,0.00001878794,0.00002357021],"domain_scores_gemma":[0.9998728,0.00003245588,0.00003289937,0.00001961862,0.00001737084,0.00002481296],"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":[0.001404964,0.0005712208,0.003128555,0.001344532,0.0001557079,0.0008641644,0.0002016909,0.3610722,0.5573251,0.02223276,0.000512143,0.05118696],"study_design_scores_gemma":[0.0006922407,0.008656817,0.005439278,0.00006528504,0.0003004796,0.0003739577,0.0004097828,0.5983716,0.3733664,0.003790797,0.008394381,0.0001391351],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9925558,0.000431193,0.004490654,0.00003281145,0.00001605658,0.00003486454,0.00004903713,0.00005295028,0.00233666],"genre_scores_gemma":[0.994716,0.0003448322,0.004455799,0.0000121803,0.000002630718,0.00003512636,0.00005823529,0.00001742948,0.0003577159],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001967141,"threshold_uncertainty_score":0.00658071,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01806850889645882,"score_gpt":0.2356531650712579,"score_spread":0.2175846561747991,"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."}}