{"id":"W4378212164","doi":"10.1007/s10853-023-08581-6","title":"Rare-earth-based metal–organic frameworks with improved visible-light-harvesting properties: a quantum chemistry study","year":2023,"lang":"en","type":"article","venue":"Journal of Materials Science","topic":"Metal-Organic Frameworks: Synthesis and Applications","field":"Chemistry","cited_by":6,"is_retracted":false,"has_abstract":false,"ca_institutions":"Toronto Metropolitan University","funders":"","keywords":"Metal-organic framework; Photocatalysis; Materials science; Density functional theory; Visible spectrum; Linker; Absorption (acoustics); Electronic structure; Photochemistry; Nanotechnology; Computational chemistry; Physical chemistry; Chemistry; Optoelectronics; Catalysis; Organic chemistry; Composite material; Computer science","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":"codex-gemma-dda1882f352a","candidate_categories":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.002490174,0.0002883804,0.0005780948,0.0001457369,0.0004362949,0.0006337057,0.001183812,0.0001925384,0.001864624],"category_scores_gemma":[0.001461137,0.000192591,0.00008968077,0.001320175,0.0002904932,0.0004602081,0.0001677099,0.0005604354,0.00005544984],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00007963338,"about_ca_system_score_gemma":0.0007201115,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001259803,"about_ca_topic_score_gemma":0.000001580663,"domain_scores_codex":[0.9970237,0.00005558786,0.0009402075,0.0004727041,0.0009681647,0.0005396195],"domain_scores_gemma":[0.9974177,0.0001803692,0.0009771429,0.000706823,0.0004605963,0.000257341],"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":[0.00007625503,0.0002367772,0.0001159774,0.0001221616,0.00003869951,0.00002777946,0.000225611,0.00009122643,0.9988325,0.00001565269,0.0000350046,0.0001823201],"study_design_scores_gemma":[0.0005249674,0.000121168,0.0002472524,0.0004896502,0.00009443401,0.00007219335,0.001269259,0.0008339293,0.9958016,0.00006926399,0.0002158182,0.000260433],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9977981,0.00007439567,0.0008329722,0.0005731821,0.0002030776,0.0001882614,0.000009057595,0.0001060295,0.0002149475],"genre_scores_gemma":[0.9974223,0.00001136559,0.001720433,0.00006067409,0.0003101842,0.00003412986,0.000001442296,0.00004722116,0.0003921918],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003030904,"threshold_uncertainty_score":0.9990478,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02157508727711132,"score_gpt":0.2515579000454906,"score_spread":0.2299828127683793,"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."}}