{"id":"W2069578235","doi":"10.1021/jp0309264","title":"Thiophosgene, A Molecule Tailor-Made for Testing Fundamental Theoretical Concepts of Radiationless Transitions:  Intramolecular Dynamics of S<sub>1</sub>Cl<sub>2</sub>CS","year":2003,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry A","topic":"Organic Chemistry Cycloaddition Reactions","field":"Chemistry","cited_by":15,"is_retracted":false,"has_abstract":true,"ca_institutions":"Brock University","funders":"","keywords":"Intramolecular force; Molecule; Dynamics (music); Computational chemistry; Chemistry; Chemical physics; Nanotechnology; Materials science; Physics; Stereochemistry; 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":[0.0001448208,0.0002248299,0.000102778,0.0001533786,0.0001436368,0.0001832252,0.0003138339,0.0002873536,0.001250793],"category_scores_gemma":[0.0001844325,0.00008830646,0.0001114615,0.0001120691,0.0003755864,0.0002720939,0.0001717858,0.0003137495,0.0001367313],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003093627,"about_ca_system_score_gemma":0.000170301,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005108368,"about_ca_topic_score_gemma":0.0004377692,"domain_scores_codex":[0.9999316,0.00001025756,0.000002602353,0.00001903153,0.00002449984,0.00001193456],"domain_scores_gemma":[0.9998736,0.00004467175,0.0000425099,0.00001459804,0.00001211994,0.00001239303],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.00009435895,0.00001657766,0.0004087912,0.00003164734,0.000005045305,0.00003399693,0.00002635161,0.0003272702,0.9965267,0.001013848,0.0000304427,0.001485168],"study_design_scores_gemma":[0.00001136277,0.0002561334,0.001137782,0.00000228692,0.000005781944,0.00006742223,0.00001532845,0.001757545,0.9958786,0.0001034751,0.000760264,0.000003995406],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9968091,0.0001036362,0.002172942,0.00003244285,0.000006542761,0.00001630203,0.00004613118,0.00003378648,0.0007790333],"genre_scores_gemma":[0.9976667,0.0001062865,0.001311993,0.00001704711,0.000002559314,0.00001986409,0.00007698349,0.00001174422,0.0007867063],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001250793,"threshold_uncertainty_score":0.004184365,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006667215362338394,"score_gpt":0.2332067250468042,"score_spread":0.2265395096844658,"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."}}