{"id":"W2067300224","doi":"10.1038/npre.2010.4425.1","title":"Gas phase homolytic bond dissociation enthalpies of common laboratory solvents: A G4 theoretical study","year":2010,"lang":"en","type":"preprint","venue":"Nature Precedings","topic":"Chemical Thermodynamics and Molecular Structure","field":"Chemistry","cited_by":12,"is_retracted":false,"has_abstract":true,"ca_institutions":"Okanagan College","funders":"Western Canada Research Grid; Compute Canada","keywords":"Homolysis; Bond-dissociation energy; Dissociation (chemistry); Gas phase; Standard enthalpy of formation; Chemistry; Thermodynamics; Computational chemistry; Physical chemistry; Materials science; Organic chemistry; Radical; Physics","routes":{"ca_aff":true,"ca_fund":true,"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":[0.0006005653,0.0006036671,0.0005831776,0.0009294855,0.0006339578,0.0003522451,0.001194665,0.0003662404,0.004657988],"category_scores_gemma":[0.001287947,0.0002684053,0.000484832,0.0009290578,0.000781683,0.0009746538,0.0007335058,0.000688504,0.0006391077],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005713849,"about_ca_system_score_gemma":0.0004245198,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002562023,"about_ca_topic_score_gemma":0.001993064,"domain_scores_codex":[0.9997506,0.0000675089,0.00000808747,0.00003871556,0.00009175082,0.00004329024],"domain_scores_gemma":[0.9994832,0.0003023712,0.00003859076,0.0000899247,0.00007112021,0.00001469743],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0008496725,0.0003984493,0.01042045,0.001060049,0.0001549243,0.0007451612,0.000395631,0.7523484,0.09472071,0.09552129,0.005950372,0.03743489],"study_design_scores_gemma":[0.00007574725,0.0003613003,0.00379942,0.00003962146,0.00003517123,0.0001023011,0.0001763507,0.8946753,0.08147592,0.01575395,0.003431281,0.00007369736],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9633898,0.001507708,0.02172791,0.000218144,0.00003527943,0.00003947534,0.001150574,0.0002365198,0.01169459],"genre_scores_gemma":[0.9948915,0.0006329402,0.002986125,0.00002523685,0.00001097354,0.00005753345,0.0004873016,0.00005379437,0.0008545592],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004657988,"threshold_uncertainty_score":0.0155825,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.003925065205633013,"score_gpt":0.2812335413700341,"score_spread":0.2773084761644011,"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."}}