{"id":"W2783116961","doi":"10.1021/acsnano.8b00312","title":"Control of Oxidation and Spin State in a Single-Molecule Junction","year":2018,"lang":"en","type":"article","venue":"ACS Nano","topic":"Quantum and electron transport phenomena","field":"Physics and Astronomy","cited_by":22,"is_retracted":false,"has_abstract":true,"ca_institutions":"Wilfrid Laurier University","funders":"FP7 Ideas: European Research Council; Deutsche Forschungsgemeinschaft","keywords":"Spin states; Scanning tunneling microscope; Spin (aerodynamics); Intramolecular force; Molecule; Density functional theory; Porphyrin; Materials science; Chemical physics; Reactivity (psychology); Condensed matter physics; Nanotechnology; Chemistry; Computational chemistry; Physics; Photochemistry; Quantum mechanics; Thermodynamics; Stereochemistry","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":[0.00006535935,0.00005352264,0.00008869802,0.00004170818,0.00002022576,0.000007109874,0.00002756051,0.0000127736,0.00005326814],"category_scores_gemma":[0.000001042831,0.00005127423,0.00001362182,0.00008971205,0.00003708381,0.00007492354,0.000003273308,0.00003263878,0.000008043808],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000007291816,"about_ca_system_score_gemma":0.00001490756,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002790182,"about_ca_topic_score_gemma":0.00003071191,"domain_scores_codex":[0.9996074,0.00001348861,0.0001246511,0.00009450426,0.00004626315,0.000113665],"domain_scores_gemma":[0.9998283,0.000007944222,0.00004974943,0.00006646744,0.00002846737,0.00001901545],"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":[0.00009477245,0.0001393028,0.0543504,0.00001018905,0.00002442304,2.887747e-7,0.0004167955,0.000006532048,0.9253158,0.007691921,0.00005989408,0.0118897],"study_design_scores_gemma":[0.003029389,0.0007738683,0.05117996,0.00003828618,0.00003134654,4.103042e-7,0.00009414209,0.0002993392,0.9228663,0.01943458,0.002034532,0.0002178604],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9822267,0.00002586808,0.01626573,0.00003970369,0.00003375911,0.00008002338,0.000004218669,0.000005836893,0.001318144],"genre_scores_gemma":[0.9997951,0.000001306069,0.00003229779,0.00002384981,0.00004259054,0.000004974137,0.00001184315,0.000005399347,0.00008268769],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01756833,"threshold_uncertainty_score":0.2090902,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00601336282658855,"score_gpt":0.2130326783020276,"score_spread":0.2070193154754391,"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."}}