{"id":"W2949163306","doi":"10.1002/chin.201223260","title":"ChemInform Abstract: No Barrier Theory and the Origins of the Intrinsic Barrier","year":2012,"lang":"en","type":"article","venue":"ChemInform","topic":"Chemical Reaction Mechanisms","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Western University","funders":"","keywords":"Chemistry; Activation barrier; Computational chemistry; Chemical physics; Density functional theory","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":[0.001890644,0.00104436,0.0008744539,0.001776131,0.0009176587,0.00183171,0.002059208,0.003256253,0.01486275],"category_scores_gemma":[0.004003635,0.0005196591,0.0004866943,0.001857917,0.002662082,0.003742113,0.001329386,0.006856725,0.007795204],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.002498655,"about_ca_system_score_gemma":0.002477998,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001980724,"about_ca_topic_score_gemma":0.001831549,"domain_scores_codex":[0.999255,0.0001633121,0.00003832711,0.0001361395,0.0003430815,0.00006407825],"domain_scores_gemma":[0.9973902,0.001344533,0.0001140028,0.0001605054,0.0008730607,0.0001176276],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"not_applicable","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.00007858565,0.0000319106,0.00007414521,0.005330397,0.00006441098,0.0001224145,0.00006271288,0.00114466,0.0009481757,0.3469209,0.5146652,0.1305564],"study_design_scores_gemma":[0.00001425415,0.00002526878,0.0001194619,0.001082492,0.00003265274,0.0002037539,0.00002015663,0.0005062545,0.001431828,0.04526945,0.9512669,0.00002757609],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":null,"genre_codex":"review","genre_gemma":"empirical","genre_scores_codex":[0.0005409758,0.8873683,0.005788566,0.02744583,0.020403,0.00002179576,0.0002446012,0.0001374945,0.05804954],"genre_scores_gemma":[0.01643147,0.9286731,0.002444839,0.01395428,0.01204289,0.00005947068,0.0003333697,0.0001304792,0.02593013],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.01486275,"threshold_uncertainty_score":0.04972082,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007840361048744079,"score_gpt":0.2258031613149259,"score_spread":0.2179628002661818,"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."}}