{"id":"W1972195250","doi":"10.1007/s11224-012-0160-6","title":"What are the enthalpy of formation and the stabilization energy of acrolein?","year":2012,"lang":"en","type":"article","venue":"Structural Chemistry","topic":"Chemical Thermodynamics and Molecular Structure","field":"Chemistry","cited_by":10,"is_retracted":false,"has_abstract":false,"ca_institutions":"Trent University","funders":"","keywords":"Acrolein; Chemistry; Crotonaldehyde; Acrylonitrile; Enthalpy; Standard enthalpy change of formation; Quantum chemical; Standard enthalpy of formation; Acrylic acid; Photochemistry; Organic chemistry; Thermodynamics; Catalysis; Polymer; Molecule","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":[0.00007515358,0.0001301933,0.0001755306,0.000004825762,0.00006174086,0.00002491405,0.0001960025,0.0001122108,0.0001393755],"category_scores_gemma":[0.00005298507,0.00007132698,0.00008722264,0.00006515068,0.0002953471,0.0001631705,0.0001004273,0.0001194806,6.3013e-8],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002238398,"about_ca_system_score_gemma":0.000008633381,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001313039,"about_ca_topic_score_gemma":0.000001963086,"domain_scores_codex":[0.9992926,0.00001394668,0.0002431984,0.0001022006,0.000190785,0.0001572777],"domain_scores_gemma":[0.9992131,0.00006765764,0.0002936838,0.0003124805,0.00007091412,0.00004214394],"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":[0.00006048761,0.000004153073,0.0005318584,0.0002674161,0.0000336998,1.129634e-7,0.0006484924,0.00001074655,0.9942773,0.001614371,0.000008215857,0.002543159],"study_design_scores_gemma":[0.0005380606,0.00000136133,0.0002818213,0.00004758614,0.00003729754,0.0000254764,0.001800691,0.0008974701,0.9926377,0.003437736,0.0002072771,0.0000875152],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9964862,0.00221088,0.00005871897,0.0001260916,0.00006138958,0.00003496874,0.00002704211,0.000009313482,0.0009853415],"genre_scores_gemma":[0.9994962,0.0002098094,0.00002238184,0.00002827506,0.000100651,0.00000601325,0.000057501,0.00001120879,0.00006795871],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003009947,"threshold_uncertainty_score":0.290863,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.004068983821848538,"score_gpt":0.2044567568168028,"score_spread":0.2003877729949542,"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."}}