{"id":"W2029761428","doi":"10.1088/1742-6596/148/1/012010","title":"DFT calculations for the high-temperature structure of (EDO-TTF)<sub>2</sub>PF<sub>6</sub>: Identification of an electronic molecular dimer","year":2009,"lang":"en","type":"article","venue":"Journal of Physics Conference Series","topic":"Organic and Molecular Conductors Research","field":"Materials Science","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"National Institute for Nanotechnology","funders":"","keywords":"Dimer; Identification (biology); Electronic structure; Materials science; Computational chemistry; Chemistry; Organic chemistry","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":[],"consensus_categories":[],"category_scores_codex":[0.0003670522,0.0001932741,0.0003733894,0.00008140891,0.0001708542,0.0001322887,0.0005159319,0.0001202505,0.00001590363],"category_scores_gemma":[0.0001320427,0.0001412557,0.0001667768,0.0003016897,0.000231984,0.000670368,0.00004008986,0.0003243356,0.000001584783],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004818213,"about_ca_system_score_gemma":0.000707532,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000006728001,"about_ca_topic_score_gemma":0.00001961291,"domain_scores_codex":[0.9980893,0.0001518841,0.0006151544,0.0002161135,0.0006118728,0.0003157402],"domain_scores_gemma":[0.9974537,0.000061769,0.0006948035,0.000414347,0.001288901,0.00008641784],"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":[0.0001005464,0.00007633722,0.000005254788,0.00003414252,0.00005523307,0.000002012848,0.000418093,0.0004119936,0.9610112,0.03316011,0.00003275881,0.004692297],"study_design_scores_gemma":[0.0003219797,0.0004715845,0.0009984161,0.0000386321,0.0001074508,0.00001824207,0.0002462433,0.00007048358,0.9719734,0.02559752,0.00001964702,0.0001364612],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9869513,0.0002319987,0.0116755,0.000549606,0.0002061237,0.0002878791,0.00008526559,0.000009050845,0.00000327214],"genre_scores_gemma":[0.9993537,0.0001302409,0.0002532058,0.00004086551,0.0001657078,0.000003422677,0.00002501881,0.00002004448,0.000007799541],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01240239,"threshold_uncertainty_score":0.5760242,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01001507003438523,"score_gpt":0.259264652721687,"score_spread":0.2492495826873017,"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."}}