{"id":"W2004874013","doi":"10.1002/jcc.20795","title":"Bond length and the electron density at the bond critical point: XX, ZZ, and CZ bonds (X = Li‐F, Z = Na‐Cl)","year":2007,"lang":"en","type":"article","venue":"Journal of Computational Chemistry","topic":"Crystallography and molecular interactions","field":"Chemistry","cited_by":17,"is_retracted":false,"has_abstract":true,"ca_institutions":"Dalhousie University","funders":"","keywords":"Homonuclear molecule; Bond length; Chemistry; Heteronuclear molecule; Crystallography; Valence electron; Chemical bond; Electron density; Atom (system on chip); Bond energy; Electron; Molecule; Physics; Crystal structure; Quantum mechanics","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0005573849,0.0001578279,0.0002044111,0.00002919932,0.0003504441,0.00008781,0.0001449353,0.0001078433,0.0001284204],"category_scores_gemma":[0.0003441152,0.000105162,0.0001644414,0.00008553715,0.0004906675,0.00009877363,0.00008624369,0.00063964,8.777752e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00006845957,"about_ca_system_score_gemma":0.00007433411,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000004685747,"about_ca_topic_score_gemma":0.000006210043,"domain_scores_codex":[0.9987835,0.00001810929,0.0004244519,0.0001611005,0.000393991,0.0002188617],"domain_scores_gemma":[0.9977918,0.001431425,0.0002329425,0.0001337045,0.0002712366,0.0001389378],"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":[0.003263745,0.0004442157,0.002781493,0.0004159253,0.0009174679,0.000433984,0.001310877,0.001061078,0.9632823,0.004743965,0.01871711,0.00262785],"study_design_scores_gemma":[0.007021836,0.0001514241,0.007092595,0.000305451,0.0007165332,0.02975952,0.002091522,0.001028885,0.8268074,0.08216186,0.04208572,0.0007772219],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9870766,0.002098536,0.001143752,0.003031468,0.00005194861,0.00003118113,0.00001300436,0.0000107023,0.006542798],"genre_scores_gemma":[0.9985685,0.00005654542,0.0003348613,0.0003681909,0.0002893383,0.000001361892,0.0000131735,0.000013357,0.0003546243],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1364749,"threshold_uncertainty_score":0.4288384,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005010028709229814,"score_gpt":0.255634024331089,"score_spread":0.2506239956218592,"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."}}