{"id":"W2608264205","doi":"10.1039/c7cp00882a","title":"Thermodynamic cycles of the alkali metal–ligand complexes central to electride formation","year":2017,"lang":"en","type":"article","venue":"Physical Chemistry Chemical Physics","topic":"Ammonia Synthesis and Nitrogen Reduction","field":"Chemical Engineering","cited_by":9,"is_retracted":false,"has_abstract":true,"ca_institutions":"Dalhousie University","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Alkali metal; Ligand (biochemistry); Metal; Chemistry; Computational chemistry; Chemical physics; Crystallography; Inorganic chemistry; Materials science; Organic chemistry","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00004076153,0.0002504747,0.0003644392,0.000005385428,0.0001810166,0.00004441368,0.0007216085,0.00008355799,0.000009582287],"category_scores_gemma":[0.0001444311,0.0001920089,0.000337467,0.0000956873,0.0001877407,0.0002030089,0.0002147351,0.0002763049,0.00001229736],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00010796,"about_ca_system_score_gemma":0.00002237043,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00003139563,"about_ca_topic_score_gemma":4.181562e-7,"domain_scores_codex":[0.9987142,0.00001059156,0.0002592784,0.0002831188,0.0003413143,0.0003914826],"domain_scores_gemma":[0.998737,0.00006697494,0.0002381648,0.0007477198,0.00006917217,0.0001410118],"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":[0.00003050427,0.0001634929,0.00002930756,0.00009473715,0.00005227842,2.339419e-7,0.000110894,0.0002064079,0.9962578,0.0008264046,0.0000675995,0.002160338],"study_design_scores_gemma":[0.0002001419,0.000005453297,0.0002430456,0.00005173204,0.0000695782,0.000002512055,0.00001917049,0.02365583,0.9719738,0.003492577,0.0000642771,0.0002218659],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9961784,0.0000180414,0.001227349,0.0002576999,0.0000395702,0.0001388701,0.00003931328,0.00005702411,0.002043716],"genre_scores_gemma":[0.9990698,0.000002234919,0.0001277754,0.00002223807,0.0006363107,0.00002243247,0.0000202357,0.00003486031,0.00006408384],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02428398,"threshold_uncertainty_score":0.7829897,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01343772548353098,"score_gpt":0.2398950493881934,"score_spread":0.2264573239046624,"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."}}