{"id":"W2063201906","doi":"10.1039/b409468a","title":"Study on the optical and magnetic properties of C<sub>48</sub>N<sub>12</sub>azafullerene isomers","year":2004,"lang":"en","type":"article","venue":"Physical Chemistry Chemical Physics","topic":"Fullerene Chemistry and Applications","field":"Chemistry","cited_by":21,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia","funders":"Precursory Research for Embryonic Science and Technology; Division of Chemistry; National Science Foundation","keywords":"ZINDO; Raman spectroscopy; Chemistry; Nonlinear optical; Chemical shift; Second-harmonic generation; Density functional theory; Hyperpolarizability; Molecular physics; Structural isomer; Carbon-13 NMR; Infrared; Analytical Chemistry (journal); Computational chemistry; Nuclear magnetic resonance; Polarizability; Crystallography; Physical chemistry; Stereochemistry; Molecule; Nonlinear system; Optics; Physics; Organic chemistry","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0000655271,0.0001256954,0.0001426558,0.0002052549,0.0001925715,0.0001129616,0.0001357942,0.0001297205,0.002427887],"category_scores_gemma":[0.0001665078,0.00005347567,0.00008201038,0.0001949785,0.0001112813,0.0001683215,0.00006823013,0.0001482821,0.0002065979],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001490049,"about_ca_system_score_gemma":0.0000707095,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001000692,"about_ca_topic_score_gemma":0.001100065,"domain_scores_codex":[0.9999542,0.000004313126,0.000001402534,0.000010931,0.0000177297,0.00001131192],"domain_scores_gemma":[0.9999301,0.00001874339,0.00001347816,0.000004595775,0.00002316747,0.00000993213],"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":[0.0001419103,0.0000190185,0.001514126,0.00007207606,0.00001068853,0.00006670282,0.00004352124,0.0004327222,0.9898965,0.0004942421,0.0001581711,0.007150207],"study_design_scores_gemma":[0.00001706024,0.0005855259,0.01827644,0.00001019789,0.00002771128,0.0003938544,0.0001454863,0.006207419,0.9708353,0.0001961934,0.003289407,0.00001553183],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9974432,0.0004419422,0.0003713429,0.00002992138,0.000003427584,0.000003457737,0.00007753824,0.000006243925,0.00162295],"genre_scores_gemma":[0.9982436,0.000252835,0.0004953856,0.00001602864,0.000003742533,0.000003859323,0.0001075405,0.000004607215,0.000872354],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002427887,"threshold_uncertainty_score":0.008122027,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02016163358017233,"score_gpt":0.2196278043216881,"score_spread":0.1994661707415158,"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."}}