{"id":"W2061458846","doi":"10.1021/jp036942i","title":"Association Complex Formation in Gas-Phase Ta Cluster Reactions with Simple Alkanes:  Probing the Role of Entropy in Rate Determination for Barrierless Adsorption Processes","year":2004,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry A","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":11,"is_retracted":false,"has_abstract":true,"ca_institutions":"Steacie Institute for Molecular Sciences; Trent University; Queen's University","funders":"","keywords":"Isobutane; Chemistry; Alkane; Propane; Dehydrogenation; Butane; Cluster (spacecraft); Thermodynamics; Neopentane; Selectivity; Reaction rate; Physical chemistry; Hydrocarbon; Molecule; Organic chemistry; Catalysis","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":[0.001057504,0.0003947907,0.0004892419,0.0004233787,0.0003120801,0.0004919812,0.0005539714,0.000358908,0.0006521614],"category_scores_gemma":[0.00245516,0.0003006613,0.0003633245,0.0003317135,0.0006025335,0.0007419692,0.0003054709,0.000597654,0.0002086725],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007193448,"about_ca_system_score_gemma":0.0003632595,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002284461,"about_ca_topic_score_gemma":0.002296287,"domain_scores_codex":[0.9996843,0.0000632031,0.00001848844,0.00007802763,0.0001097168,0.00004618515],"domain_scores_gemma":[0.9984205,0.00105399,0.0001961064,0.000102791,0.0001655988,0.00006104595],"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":[0.0003746818,0.00003733793,0.004052767,0.0001208112,0.00004114628,0.00004948151,0.0001728178,0.004794982,0.9856016,0.001052657,0.00003967795,0.003662137],"study_design_scores_gemma":[0.000008024502,0.0001323764,0.003231562,0.000002566774,0.0000185064,0.00005335679,0.00002820638,0.02806011,0.9680429,0.0001525916,0.0002545411,0.00001533317],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9905381,0.0003032364,0.008684213,0.00002880961,0.000004981904,0.0000190062,0.00004911395,0.00005720113,0.0003153572],"genre_scores_gemma":[0.9978178,0.0001763781,0.001593193,0.000003910579,0.000001943469,0.000009985062,0.00006951528,0.00001023201,0.0003170852],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002284461,"threshold_uncertainty_score":0.005592704,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009379693614647567,"score_gpt":0.2686340397078385,"score_spread":0.2592543460931909,"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."}}