{"id":"W2021430042","doi":"10.1021/ja003866d","title":"A Theoretical Investigation of the Remarkable Nuclear Spin−Spin Coupling Pattern in [(NC)<sub>5</sub>Pt−Tl(CN)]<sup>-</sup>","year":2001,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Magnetism in coordination complexes","field":"Materials Science","cited_by":57,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Spin (aerodynamics); Coupling (piping); Condensed matter physics; Nuclear magnetic resonance; Physics; Metallurgy","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001549466,0.0002638311,0.0002063141,0.0002425749,0.000357497,0.0001895229,0.0006800999,0.000404452,0.00270491],"category_scores_gemma":[0.0003483151,0.0001397602,0.0001609008,0.0002278347,0.0005912549,0.0003072655,0.0002038248,0.0002842487,0.0001985112],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000322925,"about_ca_system_score_gemma":0.000298452,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0009948869,"about_ca_topic_score_gemma":0.001283456,"domain_scores_codex":[0.9999591,0.000007647923,0.000001043921,0.000006552573,0.00001896714,0.000006715337],"domain_scores_gemma":[0.9999133,0.0000353392,0.0000165948,0.00001276349,0.00001385337,0.000008166701],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.0001859476,0.0001244622,0.001802809,0.0008743291,0.0000328654,0.001020405,0.0005337255,0.09771375,0.6843824,0.1911671,0.001204699,0.02095758],"study_design_scores_gemma":[0.00005210918,0.0003096417,0.002526315,0.00002501814,0.00003352528,0.0004244366,0.0002223909,0.8245345,0.1358178,0.03319133,0.002839911,0.00002295358],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8983105,0.000356702,0.08585501,0.0003571026,0.00002331306,0.00004368081,0.00006270852,0.00020018,0.01479074],"genre_scores_gemma":[0.9909026,0.0001195252,0.007826594,0.00004094921,0.00000380472,0.00002926469,0.00003973266,0.00001681904,0.001020683],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00270491,"threshold_uncertainty_score":0.009048879,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01076349433633806,"score_gpt":0.2421805890075865,"score_spread":0.2314170946712484,"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."}}