{"id":"W2084930990","doi":"10.1021/ic401152b","title":"Quantitative Vibrational Dynamics of the Metal Site in a Tin Porphyrin: An IR, NRVS, and DFT Study","year":2013,"lang":"en","type":"article","venue":"Inorganic Chemistry","topic":"Crystallography and Radiation Phenomena","field":"Physics and Astronomy","cited_by":6,"is_retracted":false,"has_abstract":true,"ca_institutions":"National Research Council Canada","funders":"National Institute of General Medical Sciences","keywords":"Chemistry; Porphyrin; Tin; Metal; Infrared; Crystallography; Computational chemistry; Inorganic chemistry; Photochemistry; Organic chemistry; Optics","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":[0.00006297286,0.00008854584,0.0001124502,0.00001661016,0.00004822098,0.0000234277,0.0001052436,0.00002321072,0.0007210732],"category_scores_gemma":[0.000004555368,0.00006995891,0.0000364426,0.0001812541,0.00006159792,0.0001235382,0.0000532501,0.0001115432,0.000002475336],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001475875,"about_ca_system_score_gemma":0.00004163172,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002989361,"about_ca_topic_score_gemma":0.00005648482,"domain_scores_codex":[0.9994506,0.00002480385,0.0001834465,0.0001497678,0.000100006,0.00009140607],"domain_scores_gemma":[0.9996334,0.00003353752,0.0001006504,0.0001574199,0.00003906138,0.00003592007],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"observational","study_design_gemma":"observational","study_design_scores_codex":[0.000008818411,0.000623079,0.7674691,0.00001749531,0.00008440387,3.129827e-7,0.001877991,0.00004600795,0.2266539,0.002923554,0.00003080426,0.0002644995],"study_design_scores_gemma":[0.001408274,0.00009286829,0.9517226,0.00001608452,0.00004688756,0.000002018269,0.01585742,0.004061192,0.01817037,0.008297114,0.00002427908,0.0003009049],"study_design_candidate":"observational","study_design_consensus":"observational","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9981977,0.00002340257,0.00008756545,0.00009383666,0.00001945776,0.0001679332,0.0000619419,0.000005345137,0.001342787],"genre_scores_gemma":[0.9996961,4.244259e-7,0.00009134845,0.00001007976,0.00003658024,0.00001547855,0.00005143464,0.000006698258,0.00009189232],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.2084835,"threshold_uncertainty_score":0.7895246,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005512909090614772,"score_gpt":0.2155108244035983,"score_spread":0.2099979153129835,"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."}}