{"id":"W3081596769","doi":"10.1039/d0sc03777j","title":"Orbital energy mismatch engenders high-spin ground states in heterobimetallic complexes","year":2020,"lang":"en","type":"article","venue":"Chemical Science","topic":"Magnetism in coordination complexes","field":"Materials Science","cited_by":7,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Argonne National Laboratory; Division of Electrical, Communications and Cyber Systems; U.S. Department of Energy; International Institute for Nanotechnology, Northwestern University; National Science Foundation; American Chemical Society Petroleum Research Fund; Division of Materials Research; Office of Science; Materials Research Science and Engineering Center, Harvard University; University of South Dakota; Air Force Office of Scientific Research; Northwestern University; W. M. Keck Foundation; Basic Energy Sciences; Canadian Light Source","keywords":"Bimetallic strip; Lanthanide; Spin (aerodynamics); Tin; Transition metal; Non-bonding orbital; Chemistry; Metal; Molecular orbital; Atomic physics; Condensed matter physics; Chemical physics; Materials science; Physics; Molecule; Ion; Catalysis","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"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":[0.00008363884,0.0001841013,0.0001603803,0.0002687207,0.000672714,0.0007318531,0.0004625605,0.0004215261,0.002989932],"category_scores_gemma":[0.0001633536,0.0001971737,0.0000481523,0.0001945082,0.0002597425,0.000256344,0.000492352,0.000238035,0.0002436997],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005173607,"about_ca_system_score_gemma":0.0001637861,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006407025,"about_ca_topic_score_gemma":0.001361511,"domain_scores_codex":[0.999927,0.000009751092,0.000004417016,0.00001662554,0.0000214519,0.00002065476],"domain_scores_gemma":[0.9999641,0.000007644775,0.000009527468,0.00000443726,0.000003645294,0.00001052321],"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":[0.0006185607,0.0001550257,0.002517834,0.0002784349,0.00003950738,0.0008016241,0.0005043995,0.00277194,0.9358558,0.04138744,0.001870089,0.01319926],"study_design_scores_gemma":[0.0001737823,0.001122567,0.00934782,0.00006030078,0.00005364766,0.001511142,0.0008789494,0.04325521,0.9124175,0.01546096,0.01564523,0.0000728247],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9937106,0.0001095816,0.001137407,0.00008023939,0.00001060858,0.000006261276,0.00003506235,0.00004974111,0.004860425],"genre_scores_gemma":[0.9990594,0.00003354779,0.000439645,0.0000146426,0.00000111841,0.000006531904,0.00003463169,0.00001045772,0.0004001826],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002989932,"threshold_uncertainty_score":0.01000226,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02671230702069013,"score_gpt":0.2561690249324373,"score_spread":0.2294567179117472,"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."}}