{"id":"W2896657956","doi":"10.1007/s11224-018-1186-1","title":"The electron affinities of TCNE and TCNQ: the effect of silicon substitution","year":2018,"lang":"en","type":"article","venue":"Structural Chemistry","topic":"Organic and Molecular Conductors Research","field":"Materials Science","cited_by":4,"is_retracted":false,"has_abstract":false,"ca_institutions":"Lakehead University","funders":"","keywords":"Chemistry; Tetracyanoethylene; Tetracyanoquinodimethane; Diradical; Singlet state; Affinities; Moiety; Electron affinity (data page); Silicon; Superexchange; Computational chemistry; Substitution (logic); Crystallography; Photochemistry; Stereochemistry; Molecule; Organic chemistry; Atomic physics; Ion; Excited state","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":[0.0002272062,0.00007054563,0.00009597145,0.000004817585,0.0001607446,0.00002374385,0.0001957952,0.00004050185,0.0001300575],"category_scores_gemma":[0.0001713781,0.00003384916,0.00002638316,0.00005100673,0.0009349228,0.00003457139,0.00007078314,0.00007406702,0.000001831569],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001314667,"about_ca_system_score_gemma":0.00003862572,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002988104,"about_ca_topic_score_gemma":0.000005103382,"domain_scores_codex":[0.9994074,0.00004770673,0.0001152047,0.000104632,0.0001735247,0.0001515605],"domain_scores_gemma":[0.9995409,0.0001176465,0.00006420388,0.0001978614,0.00005756627,0.00002187654],"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":[0.00005580591,4.462758e-7,0.0002950188,0.00004984573,0.000005769906,2.274607e-7,0.00008280934,1.368162e-7,0.9990565,0.0001234832,0.00002065646,0.0003092863],"study_design_scores_gemma":[0.0001387863,0.0001023176,0.001101522,0.000007611815,0.000009628645,0.00001254533,0.00006063628,0.00001078889,0.9982727,0.0001413266,0.0001045276,0.00003760281],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.998565,0.0005018528,0.000001370694,0.00005725571,0.00007285483,0.00007498263,0.00000775814,0.000007745765,0.0007112226],"genre_scores_gemma":[0.9996707,0.00001876558,0.00000483532,0.000002876825,0.00008596199,0.000002414119,0.000001807912,0.000004045586,0.0002085572],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001105779,"threshold_uncertainty_score":0.3444762,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00544901901098746,"score_gpt":0.255447307345187,"score_spread":0.2499982883341995,"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."}}