{"id":"W4392885236","doi":"10.1002/jms.5010","title":"Estimation of thermodynamic and physicochemical properties of the alkali astatides: On the bond strength of molecular astatine (At<sub>2</sub>) and the hydration enthalpy of astatide (At<sup>−</sup>)","year":2024,"lang":"en","type":"article","venue":"Journal of Mass Spectrometry","topic":"Radiopharmaceutical Chemistry and Applications","field":"Medicine","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ottawa","funders":"","keywords":"Chemistry; Alkali metal; Enthalpy; Bond-dissociation energy; Halide; Standard enthalpy of formation; Sublimation (psychology); Thermodynamics; Lattice energy; Molecule; Physical chemistry; Computational chemistry; Binding energy; Dissociation (chemistry); Inorganic chemistry; Crystallography; Organic chemistry; Crystal structure; Atomic physics","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":[0.0003293643,0.0002478905,0.0001732477,0.0006635481,0.000183587,0.0002812663,0.0002837032,0.0002112437,0.0006470365],"category_scores_gemma":[0.0005611444,0.000138761,0.0001779576,0.0003420757,0.0003397823,0.0003213143,0.0002688666,0.0002156688,0.000157837],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001967202,"about_ca_system_score_gemma":0.0001276714,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001034287,"about_ca_topic_score_gemma":0.001099768,"domain_scores_codex":[0.9998543,0.00003437208,0.000007811465,0.0000313529,0.0000611532,0.00001092196],"domain_scores_gemma":[0.9998044,0.00006401023,0.00003867963,0.00001696298,0.00005876162,0.00001707881],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0002357206,0.00001344958,0.01574115,0.0001446536,0.00004203639,0.00006244027,0.0001048415,0.002463097,0.9723514,0.0004525608,0.00003624005,0.008352292],"study_design_scores_gemma":[0.000008447361,0.0002294105,0.04887931,0.0000116301,0.00003486636,0.000111639,0.0001903409,0.0141997,0.9348093,0.0002960723,0.001208078,0.00002122567],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9965014,0.0002405759,0.002426035,0.000008260477,0.00000181174,0.000005502533,0.0001573036,0.00001434512,0.0006446837],"genre_scores_gemma":[0.9982651,0.0001226197,0.001196538,0.000003171142,0.000001195552,0.000005547579,0.0001591023,0.000006012561,0.0002406852],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001034287,"threshold_uncertainty_score":0.002164543,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009963349686675997,"score_gpt":0.2512353505028023,"score_spread":0.2412720008161263,"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."}}