{"id":"W2076026053","doi":"10.1149/1.3628617","title":"Density Functional Investigation of Charge Transfer in Organic Solar Cells","year":2011,"lang":"en","type":"article","venue":"ECS Transactions","topic":"Organic Electronics and Photovoltaics","field":"Engineering","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta; National Institute for Nanotechnology","funders":"","keywords":"Charge (physics); Chemical physics; Excited state; Materials science; Atomic orbital; Ground state; Excitation; Polymer; Bridging (networking); Density functional theory; Charge density; Transfer (computing); Molecular orbital; Atomic physics; Molecular physics; Chemistry; Molecule; Electron; Computational chemistry; Physics; Computer science; Organic chemistry; Quantum mechanics","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":[0.00008098532,0.00008874785,0.0001057729,0.00009547522,0.00003487042,0.000003449785,0.000049571,0.00008412751,0.00219098],"category_scores_gemma":[8.90772e-7,0.0001020982,0.0000461801,0.0002813012,0.00002168714,0.00009660817,7.273077e-7,0.0002176021,0.00003505011],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004946084,"about_ca_system_score_gemma":0.00004163706,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00005914315,"about_ca_topic_score_gemma":0.0005199339,"domain_scores_codex":[0.999482,0.0000126513,0.0001783977,0.00009421179,0.0000815677,0.0001511976],"domain_scores_gemma":[0.9998032,0.00001396632,0.000007685641,0.000105093,0.00002297398,0.00004703557],"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":[0.000006420312,0.00003577468,0.0003876439,0.00003253886,0.00002805498,8.224372e-7,0.001213633,0.0004570807,0.9975744,0.0001253395,0.00003163977,0.00010669],"study_design_scores_gemma":[0.0002124884,0.00002588251,0.003771886,0.000007741221,0.00002149818,0.000003012766,0.0000201528,0.001801149,0.9934809,0.0003356676,0.0002211122,0.00009846684],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.915239,0.00005882372,0.08349168,0.00001189764,0.0002726457,0.00009961159,0.00001615102,0.00008006785,0.0007301182],"genre_scores_gemma":[0.9996179,0.00013225,0.0001207025,0.00001298094,0.00001630297,0.000006270374,0.000005521035,0.00002272285,0.00006533304],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.08437891,"threshold_uncertainty_score":0.9987211,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01470321203082367,"score_gpt":0.1616909812936413,"score_spread":0.1469877692628176,"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."}}