{"id":"W1969757230","doi":"10.1002/chem.200701611","title":"Application of MCD Spectroscopy and TD‐DFT to Nonplanar Core‐Modified Tetrabenzoporphyrins: Effect of Reduced Symmetry on Nonplanar Porphyrinoids","year":2008,"lang":"en","type":"article","venue":"Chemistry - A European Journal","topic":"Porphyrin and Phthalocyanine Chemistry","field":"Materials Science","cited_by":60,"is_retracted":false,"has_abstract":true,"ca_institutions":"Western University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Crystallography; Magnetic circular dichroism; Spectroscopy; Ligand (biochemistry); Circular dichroism; Differential pulse voltammetry; Annulene; Stereochemistry; Spectral line; Cyclic voltammetry; Physical chemistry; Physics; Electrochemistry","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":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0009495988,0.0003874429,0.0005897536,0.00008807659,0.0001943569,0.00003537125,0.0006442127,0.00008876763,0.0002450538],"category_scores_gemma":[0.0001892886,0.0003443997,0.0001538168,0.0002682405,0.0002653706,0.00008795857,0.0001176121,0.0004648621,0.00007087318],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00007465357,"about_ca_system_score_gemma":0.0000845037,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000009437979,"about_ca_topic_score_gemma":9.902431e-8,"domain_scores_codex":[0.9976035,0.000133972,0.0007852147,0.0005191916,0.0005234595,0.0004346381],"domain_scores_gemma":[0.9980245,0.000126987,0.0006324045,0.000618335,0.0001319316,0.0004658407],"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":[0.0005204728,0.0001299095,0.001893088,0.0003129599,0.00002871422,0.0002325913,0.0001338437,0.00004847638,0.9946991,0.00001211817,0.001664638,0.0003240914],"study_design_scores_gemma":[0.001323746,0.0005350201,0.005191273,0.0002009791,0.00004153753,0.001903062,0.00003041498,0.00008637166,0.9900264,0.00002139851,0.0003279225,0.000311941],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9853609,0.0001385236,0.000346294,0.00005525442,0.0001272415,0.0001812824,0.00008553982,0.00004804692,0.01365687],"genre_scores_gemma":[0.9980409,0.00006185781,0.001079079,0.00005330917,0.0004178099,0.000005626007,0.00002783117,0.00005614572,0.0002574645],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0133994,"threshold_uncertainty_score":0.9999008,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01427580558157822,"score_gpt":0.2440473326350148,"score_spread":0.2297715270534366,"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."}}