{"id":"W2005009702","doi":"10.1039/b801951g","title":"Pre-catalyst resting states: a kinetic, thermodynamic and quantum mechanical analyses of [PdCl2(2-oxazoline)2] complexes","year":2008,"lang":"en","type":"article","venue":"Dalton Transactions","topic":"Organometallic Complex Synthesis and Catalysis","field":"Chemistry","cited_by":19,"is_retracted":false,"has_abstract":true,"ca_institutions":"Western University; Saint Mary's University; Acadia University","funders":"","keywords":"Isomerization; Chemistry; Endothermic process; Kinetic energy; Catalysis; Oxazoline; Quantum yield; Physical chemistry; Yield (engineering); Transition state; Thermodynamic equilibrium; Dipole; Crystallography; Thermodynamics; 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":"codex-gemma-dda1882f352a","candidate_categories":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0001004401,0.0002338179,0.0004819401,0.0001405445,0.0002640061,0.00002095432,0.0002190207,0.00009099035,0.005435155],"category_scores_gemma":[0.00003149332,0.0002157228,0.0002156434,0.0003400798,0.000223439,0.0001022231,0.00001789533,0.0001935335,0.000007482406],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000316779,"about_ca_system_score_gemma":0.00004394436,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001183319,"about_ca_topic_score_gemma":0.0002306222,"domain_scores_codex":[0.9984742,0.00003667357,0.0005500424,0.0003964093,0.0002737436,0.0002689545],"domain_scores_gemma":[0.998867,0.0002751973,0.0001729792,0.0004820408,0.00007111511,0.0001316439],"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":[0.00005590162,0.0002466111,0.0001526715,0.0001829315,0.0003843635,0.000008013802,0.0006751234,0.0003874726,0.9932671,0.0003760609,0.000007775981,0.004256018],"study_design_scores_gemma":[0.001977544,0.0001781794,0.01485418,0.0002553064,0.002068159,0.0003768996,0.002279115,0.1866578,0.7845781,0.002433922,0.003014657,0.001326084],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9581404,0.000501799,0.03965384,0.00009328079,0.00002661607,0.00007303603,0.0003080614,0.0001083881,0.001094578],"genre_scores_gemma":[0.9981085,0.000461042,0.0006961536,0.00001223583,0.00003474793,0.00002247749,0.0001227421,0.00003520944,0.0005068952],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.2086889,"threshold_uncertainty_score":0.995474,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0431618140547259,"score_gpt":0.2826116036197531,"score_spread":0.2394497895650272,"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."}}