{"id":"W1847414320","doi":"10.1139/v08-081","title":"DFT studies of the σ-donor/π-acceptor properties of [SnCB<sub>10</sub>H<sub>11</sub>]<sup>–</sup> and its relationship to [SnCl<sub>3</sub>]<sup>–</sup>, CO, PF<sub>3</sub>, [SnB<sub>11</sub>H<sub>11</sub>]<sup>2–</sup>, SnC<sub>2</sub>B<sub>9</sub>H<sub>11</sub>, and related SnC<sub>2</sub>B<sub>n</sub>H<sub>n+2</sub> compounds","year":2008,"lang":"en","type":"article","venue":"Canadian Journal of Chemistry","topic":"Boron Compounds in Chemistry","field":"Medicine","cited_by":13,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Chemistry; Borane; Acceptor; HOMO/LUMO; Cluster (spacecraft); Carbon fibers; Crystallography; Density functional theory; Computational chemistry; Molecule; Catalysis; Organic chemistry; Physics","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":[0.0001626243,0.000661722,0.0007580302,0.0003737224,0.0006728727,0.0003866225,0.0008719586,0.0008255764,0.006814625],"category_scores_gemma":[0.0003194541,0.0002366756,0.0003832105,0.0004724219,0.0003929426,0.0003324749,0.0003523387,0.0005733204,0.0004909612],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007894829,"about_ca_system_score_gemma":0.0005686111,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.009993954,"about_ca_topic_score_gemma":0.02240055,"domain_scores_codex":[0.9999076,0.00001350368,0.0000036452,0.000007781166,0.00003522285,0.00003228838],"domain_scores_gemma":[0.999846,0.00006714938,0.00001436129,0.00001450721,0.0000400456,0.0000179298],"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":[0.001954458,0.0006503794,0.01214287,0.004548586,0.000401557,0.002555127,0.0007715576,0.6839656,0.1314025,0.09776811,0.01597576,0.04786348],"study_design_scores_gemma":[0.00014324,0.0006381816,0.008494035,0.0001978003,0.000119747,0.0002117131,0.0009026325,0.9519918,0.02566951,0.006834793,0.004739692,0.0000569028],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9639227,0.0008096172,0.003195356,0.0003299985,0.00005756042,0.00003850408,0.0009026899,0.0001240941,0.0306193],"genre_scores_gemma":[0.9962902,0.0003435983,0.0009680878,0.00007554304,0.000009059872,0.00005226545,0.0006404616,0.00002240715,0.00159837],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.009993954,"threshold_uncertainty_score":0.02279723,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03189477207462758,"score_gpt":0.2431138016184957,"score_spread":0.2112190295438681,"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."}}