{"id":"W4313310338","doi":"10.1139/cjc-2022-0254","title":"Weak and strong π interactions between two monomers—assessed with local vibrational mode theory","year":2022,"lang":"en","type":"article","venue":"Canadian Journal of Chemistry","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":8,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Chemistry; Benzene; Molecule; Density functional theory; Chemical physics; Force constant; Computational chemistry; Group (periodic table); Hydrogen bond; Molecular vibration; Crystallography; Organic chemistry","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":true,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00210019,0.0006354243,0.0005051108,0.002460312,0.0005745334,0.0007897629,0.0009129664,0.0007975377,0.002828124],"category_scores_gemma":[0.005698554,0.0002714534,0.0004857884,0.0007409528,0.001303305,0.001806539,0.001438408,0.0008228822,0.0004355278],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004196391,"about_ca_system_score_gemma":0.0003384663,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003914777,"about_ca_topic_score_gemma":0.0003973836,"domain_scores_codex":[0.9988475,0.0002252949,0.00005344191,0.0002077057,0.000544965,0.0001210326],"domain_scores_gemma":[0.9967288,0.001887069,0.000555567,0.0003406246,0.00023289,0.0002549874],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.0009529714,0.0004961294,0.03336467,0.001582749,0.0005204487,0.0005160298,0.001130288,0.1470281,0.6053301,0.06435635,0.001702631,0.1430195],"study_design_scores_gemma":[0.00007342376,0.001185581,0.03519341,0.0001254375,0.0002285544,0.00081201,0.0008146418,0.7211111,0.1884434,0.04614022,0.005549029,0.000323153],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8329934,0.002061963,0.1564006,0.0001497514,0.00009410988,0.00008649461,0.0002084899,0.0003576131,0.007647546],"genre_scores_gemma":[0.9870864,0.0002561738,0.01188846,0.00003734717,0.00002181075,0.00006199542,0.0001137422,0.0000388912,0.0004951715],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002828124,"threshold_uncertainty_score":0.01110697,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008343138665333491,"score_gpt":0.2352578190379471,"score_spread":0.2269146803726136,"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."}}