{"id":"W2103545203","doi":"10.1139/cjc-2015-0334","title":"Functionalization of single-walled (<i>n</i>,0) carbon and boron nitride nanotubes by carbonyl derivatives (<i>n</i> = 5, 6): a DFT study","year":2015,"lang":"en","type":"article","venue":"Canadian Journal of Chemistry","topic":"Boron and Carbon Nanomaterials Research","field":"Materials Science","cited_by":6,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Surface modification; Reactivity (psychology); Chemistry; Boron nitride; Carbon nanotube; Electrophile; Nanotube; Computational chemistry; Density functional theory; Boron; Nanotechnology; Physical chemistry; Organic chemistry; Materials science; Catalysis","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":true,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0007445067,0.0001616715,0.000363221,0.00008423031,0.00005798328,0.0001007885,0.0002562701,0.0001004614,0.0001670568],"category_scores_gemma":[0.0004561599,0.0001489597,0.00004318824,0.0001683715,0.0002161014,0.0001514202,0.00003024445,0.0001085558,9.527704e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002062401,"about_ca_system_score_gemma":0.001495567,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004437994,"about_ca_topic_score_gemma":0.001194885,"domain_scores_codex":[0.9984007,0.0001260446,0.0005316471,0.0001874395,0.0004612546,0.0002928614],"domain_scores_gemma":[0.998189,0.00005876732,0.0003200472,0.0001772155,0.0005457671,0.0007091471],"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":[0.0001104074,0.00007464158,0.007095147,0.00004599158,0.00002495322,0.00003553313,0.0008729352,0.00001975015,0.9903626,0.000002027513,0.001276893,0.00007910205],"study_design_scores_gemma":[0.001448445,0.0003014129,0.0005251544,0.0000623532,0.00002935909,0.00008391166,0.002348189,0.00001996866,0.9933835,0.00007198555,0.001564113,0.0001616171],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9960071,0.002008907,0.00001498474,0.0001402937,0.0002517151,0.0001247259,0.00004313726,0.000007496894,0.00140165],"genre_scores_gemma":[0.99953,0.0000181365,0.0000438522,0.0000339412,0.0001368464,0.000004653511,0.000007391907,0.0000193351,0.0002058027],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006569993,"threshold_uncertainty_score":0.6708949,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02106206111869362,"score_gpt":0.2339947210064336,"score_spread":0.21293265988774,"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."}}