{"id":"W4307974898","doi":"10.1002/cphc.202200759","title":"Ionization of Cp<sub>2</sub>ZrMe<sub>2</sub> and Lewis Bases by Methylaluminoxane: Computational Insights","year":2022,"lang":"en","type":"article","venue":"ChemPhysChem","topic":"Coordination Chemistry and Organometallics","field":"Chemistry","cited_by":8,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Victoria","funders":"","keywords":"Adduct; Chemistry; Lewis acids and bases; Methylaluminoxane; Crystallography; Stereochemistry; Molecule; Ionization; Ion; Chelation; Metallocene; Inorganic chemistry; Organic chemistry; Catalysis","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":[0.0003086654,0.0009234753,0.001261757,0.0004772437,0.0006774311,0.0007855701,0.001576512,0.001426992,0.007954041],"category_scores_gemma":[0.0005264299,0.0004659471,0.0007658427,0.000387589,0.0005533538,0.000719436,0.0007416027,0.0009301313,0.0005115014],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0009082179,"about_ca_system_score_gemma":0.0009318903,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.009136527,"about_ca_topic_score_gemma":0.01029665,"domain_scores_codex":[0.999873,0.00002721457,0.0000031814,0.00001218883,0.00003052245,0.00005382625],"domain_scores_gemma":[0.9997149,0.0001753574,0.00002502163,0.00002072938,0.00003477088,0.0000291563],"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":[0.0005417069,0.0002389638,0.00535605,0.0005853752,0.0001546729,0.000829973,0.000122305,0.9663655,0.008939946,0.01048178,0.002045551,0.004338108],"study_design_scores_gemma":[0.0001284849,0.0001790219,0.001344205,0.00002808571,0.00003735482,0.00004860566,0.0001717028,0.9930727,0.001794117,0.002186171,0.0009928126,0.00001682763],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9738395,0.0005322337,0.003316021,0.0004651314,0.00004771711,0.00004632754,0.001112491,0.0001168256,0.02052373],"genre_scores_gemma":[0.9945327,0.0003186701,0.002315625,0.0001642001,0.00002310549,0.00007847616,0.0007465178,0.00003732714,0.001783356],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.009136527,"threshold_uncertainty_score":0.02660888,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008544444931031419,"score_gpt":0.2075499826811971,"score_spread":0.1990055377501657,"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."}}