{"id":"W4399808244","doi":"10.26434/chemrxiv-2024-qp40w","title":"Electronic Tunability of Ruthenium Formyl and Hydroxymethyl Intermediates Relevant to Sustainable CO-to-Methanol Conversion","year":2024,"lang":"en","type":"preprint","venue":"ChemRxiv","topic":"CO2 Reduction Techniques and Catalysts","field":"Energy","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia","funders":"Natural Sciences and Engineering Research Council of Canada; Research Corporation for Science Advancement","keywords":"Hydroxymethyl; Ruthenium; Chemistry; Reactivity (psychology); Ligand (biochemistry); Methanol; Yield (engineering); Metal; Photochemistry; Electrochemistry; Medicinal chemistry; Catalysis; Organic chemistry; Physical chemistry; Materials science; Electrode","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001020011,0.0002130165,0.0001568591,0.00008993205,0.00008056207,0.0002940547,0.0002411084,0.0003204883,0.0009865974],"category_scores_gemma":[0.0002126972,0.0001067528,0.00009700499,0.00009581583,0.0001393861,0.0002060893,0.0001569982,0.0002993231,0.0002343248],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002370212,"about_ca_system_score_gemma":0.00006496557,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00020484,"about_ca_topic_score_gemma":0.0003587247,"domain_scores_codex":[0.9999111,0.00001384441,0.000005196835,0.00002073007,0.00002548408,0.00002363651],"domain_scores_gemma":[0.9999317,0.00001487298,0.00002518746,0.000009275345,0.00001010497,0.000008862345],"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":[0.00005836467,0.00001058609,0.00007821565,0.00003542313,0.000002882041,0.00003946647,0.00001536227,0.0001318012,0.9978676,0.0002189722,0.00003739078,0.001503933],"study_design_scores_gemma":[0.000004045678,0.00005616603,0.0003181243,0.000001937973,0.000002828848,0.00005536628,0.00000620479,0.0005462817,0.9980714,0.00002577233,0.0009095439,0.000002417239],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9937147,0.000901162,0.00272775,0.00007016557,0.00001346977,0.00001334806,0.00009640289,0.00006887396,0.002393939],"genre_scores_gemma":[0.9975008,0.0002600502,0.001335028,0.0000158738,0.000003615146,0.000009732824,0.00008412817,0.00001672845,0.0007740441],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0009865974,"threshold_uncertainty_score":0.003300548,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007108110164372391,"score_gpt":0.2601632637180692,"score_spread":0.2530551535536968,"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."}}