{"id":"W2327888689","doi":"10.1021/ic501181k","title":"Influence of Ligand Flexibility on the Electronic Structure of Oxidized Ni<sup>III</sup>-Phenoxide Complexes","year":2014,"lang":"en","type":"article","venue":"Inorganic Chemistry","topic":"Magnetism in coordination complexes","field":"Materials Science","cited_by":36,"is_retracted":false,"has_abstract":true,"ca_institutions":"Simon Fraser University","funders":"Institute for Molecular Science; European Social Fund; Natural Sciences and Engineering Research Council of Canada; Ministry of Education, Culture, Sports, Science and Technology","keywords":"Chemistry; Ligand (biochemistry); Flexibility (engineering); Electronic structure; Crystallography; Stereochemistry; Computational chemistry","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":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.000514853,0.0002426837,0.0004101786,0.00002438654,0.0001140265,0.00003480404,0.0009591505,0.0001334459,0.00227025],"category_scores_gemma":[0.0009439957,0.0001875757,0.00007100598,0.0002704373,0.0004554011,0.00008987185,0.0002049799,0.0002634264,0.00001888157],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00008747153,"about_ca_system_score_gemma":0.0001660248,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001528892,"about_ca_topic_score_gemma":0.00002087032,"domain_scores_codex":[0.9979802,0.0001170431,0.0005942032,0.0004403174,0.0004985979,0.0003696026],"domain_scores_gemma":[0.9976459,0.000605453,0.000411648,0.001025893,0.0002451732,0.0000659701],"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":[0.00004939162,0.00005009741,0.0002731759,0.0001624863,0.00001046563,1.896742e-7,0.0002727665,0.001321564,0.9956914,0.001795114,0.0003281487,0.0000452271],"study_design_scores_gemma":[0.0004930618,0.00006458451,0.002049199,0.00004797305,0.00001843476,0.000008572949,0.00008841986,0.0003096423,0.9862881,0.01013829,0.0003177759,0.0001759224],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9985403,0.00007372796,0.00007785251,0.0003308184,0.00003363872,0.0001945298,0.00006470552,0.00006656739,0.0006178336],"genre_scores_gemma":[0.9993886,0.000005128846,0.0001564252,0.0001595667,0.0000860623,0.000006172836,0.000008763157,0.0000208138,0.0001684389],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.009403252,"threshold_uncertainty_score":0.9986418,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008258853451964813,"score_gpt":0.2288735545631731,"score_spread":0.2206147011112083,"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."}}