{"id":"W2115195162","doi":"10.1039/b414665d","title":"A computational study of the reactions of a β-diketiminatoaluminium(<scp>i</scp>) complex with the hydrogen atom and the electron","year":2005,"lang":"en","type":"article","venue":"Chemical Communications","topic":"Organometallic Complex Synthesis and Catalysis","field":"Chemistry","cited_by":9,"is_retracted":false,"has_abstract":true,"ca_institutions":"Simon Fraser University","funders":"","keywords":"Hydrogen atom; Adduct; Chemistry; Atom (system on chip); Hydrogen; Metal; Electron; Ion; Electron density; Ligand (biochemistry); Spin density; Photochemistry; Computational chemistry; Crystallography; Atomic physics; Physics; Organic chemistry; Condensed matter physics; Group (periodic table)","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":[0.000434133,0.0008552219,0.001451345,0.0004704904,0.001044161,0.0008751929,0.001845732,0.001801464,0.007690889],"category_scores_gemma":[0.001970985,0.0005372316,0.0007104991,0.001000908,0.0008979021,0.0008481633,0.0005240046,0.001377407,0.000355326],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001374007,"about_ca_system_score_gemma":0.002227734,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01910225,"about_ca_topic_score_gemma":0.02363695,"domain_scores_codex":[0.9998786,0.00003442564,0.000003904839,0.00001900466,0.00002558889,0.00003831005],"domain_scores_gemma":[0.998374,0.0012618,0.00007710907,0.00006899223,0.0001426397,0.00007545455],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0006882821,0.0003533305,0.004297517,0.0004748718,0.0001974564,0.0006420231,0.0001214333,0.9722403,0.001116855,0.01023232,0.004105398,0.005530151],"study_design_scores_gemma":[0.0004559562,0.0005163996,0.001996291,0.0000425682,0.0001141583,0.0001486967,0.0003754988,0.9883388,0.001344565,0.003950731,0.002687336,0.00002896439],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9559104,0.0005233035,0.005120925,0.0009618138,0.00006498741,0.0001154194,0.003340727,0.0002094297,0.03375316],"genre_scores_gemma":[0.9857395,0.0003407458,0.008509079,0.0002334083,0.0000240361,0.0002755845,0.002251355,0.00007868095,0.002547495],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01910225,"threshold_uncertainty_score":0.03798211,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01972605339074088,"score_gpt":0.2496958459267637,"score_spread":0.2299697925360228,"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."}}