{"id":"W3186328591","doi":"10.1039/d1sc03050g","title":"Charge transport through extended molecular wires with strongly correlated electrons","year":2021,"lang":"en","type":"article","venue":"Chemical Science","topic":"Molecular Junctions and Nanostructures","field":"Engineering","cited_by":20,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Waterloo","funders":"Basic Energy Sciences; Royal Academy of Engineering; Canada First Research Excellence Fund; UK Research and Innovation; Engineering and Physical Sciences Research Council; U.S. Department of Energy","keywords":"Electron; Electron transport chain; Excited state; Quantum tunnelling; Electronic structure; Trimer; Chemistry; Molecule; Chemical physics; Charge (physics); Atomic physics; Molecular physics; Physics; Dimer; Condensed matter physics; Computational chemistry; Quantum mechanics","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":[],"consensus_categories":[],"category_scores_codex":[0.00003740086,0.0001210573,0.0001104563,0.00002460188,0.00007580042,0.0000261101,0.0001812327,0.00005341805,0.0001392113],"category_scores_gemma":[0.00001634866,0.00009996066,0.00003911049,0.0007722344,0.0002170626,0.0001238056,0.00001525339,0.0001798653,0.000009115659],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00005341007,"about_ca_system_score_gemma":0.0001014938,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000005522484,"about_ca_topic_score_gemma":0.000002474563,"domain_scores_codex":[0.9989867,0.000004223301,0.0001040125,0.0002745007,0.000273077,0.0003574999],"domain_scores_gemma":[0.999591,0.00000644532,0.00001171138,0.0002284363,0.00006346842,0.00009893405],"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":[0.000004190571,0.00001339149,0.00005707472,0.00000651003,0.00001082808,0.00005315206,0.00004056236,0.0006036281,0.9971402,0.001540258,0.00009344272,0.0004367479],"study_design_scores_gemma":[0.0001784633,0.00001693057,0.0006228538,0.00001301995,0.00001553685,0.00006327221,0.0000123756,0.001597689,0.9958349,0.0002391407,0.001252835,0.0001529332],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9777882,0.0004642778,0.01162382,0.00005204511,0.000108172,0.0000632423,0.000004621354,0.0001647919,0.009730809],"genre_scores_gemma":[0.9977243,0.00001976407,0.002094347,0.00004328043,0.00001812176,0.00000718901,0.00001376277,0.00001470387,0.00006452301],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01993609,"threshold_uncertainty_score":0.4076278,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.003450775493527455,"score_gpt":0.1924124924850023,"score_spread":0.1889617169914748,"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."}}