{"id":"W3206597832","doi":"10.1039/d1qi00912e","title":"Aufbau <i>vs.</i> non-Aufbau ground states in two-coordinate d<sup>7</sup> single-molecule magnets","year":2021,"lang":"en","type":"article","venue":"Inorganic Chemistry Frontiers","topic":"Magnetism in coordination complexes","field":"Materials Science","cited_by":17,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ottawa","funders":"Natural Sciences and Engineering Research Council of Canada; Oulun Yliopisto; Magnus Ehrnroothin Säätiö; Canada Foundation for Innovation; University of Ottawa","keywords":"Magnet; Ground state; Anisotropy; Single-molecule magnet; Mixing (physics); Molecule; Physics; Atomic physics; Chemistry; Magnetic field; Magnetization; Quantum mechanics","routes":{"ca_aff":true,"ca_fund":true,"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":["metaepi_narrow","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.000442113,0.0005169661,0.0006270281,0.00007958786,0.0003283477,0.0007409333,0.0008782984,0.0001895825,0.005301119],"category_scores_gemma":[0.0003213653,0.0006085243,0.0001373956,0.0008091618,0.0002984003,0.0004520718,0.0004791772,0.0003956239,0.000216895],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005515428,"about_ca_system_score_gemma":0.0003694578,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005079613,"about_ca_topic_score_gemma":0.00009430377,"domain_scores_codex":[0.9962926,0.0001321343,0.0008042765,0.001155793,0.0006334099,0.0009818185],"domain_scores_gemma":[0.9981064,0.0001316873,0.0002522368,0.0009398593,0.0002861205,0.0002836717],"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":[0.00005316409,0.000246153,0.001506789,0.0001805788,0.00001922574,0.0002573643,0.0005519915,0.0006203434,0.9579448,0.00001494853,0.03778272,0.0008219937],"study_design_scores_gemma":[0.002027783,0.00005786586,0.0003912429,0.00008018412,0.0000401827,0.000135334,0.001319474,0.004750719,0.971674,0.001359053,0.01738474,0.0007793799],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9803041,0.001063954,0.002443024,0.001730683,0.0007544551,0.0002638741,0.00009948424,0.0002346823,0.0131058],"genre_scores_gemma":[0.9831315,0.00005280702,0.005664913,0.0006005411,0.0002790358,0.00005220062,0.000189576,0.00009397114,0.009935443],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02039798,"threshold_uncertainty_score":0.9996366,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007918409547351613,"score_gpt":0.2260995667042691,"score_spread":0.2181811571569175,"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."}}