{"id":"W1967173458","doi":"10.1149/1.2140613","title":"Calculations of Oxidation Potentials of Redox Shuttle Additives for Li-Ion Cells","year":2006,"lang":"en","type":"article","venue":"Journal of The Electrochemical Society","topic":"Thermal and Kinetic Analysis","field":"Materials Science","cited_by":87,"is_retracted":false,"has_abstract":true,"ca_institutions":"Dalhousie University","funders":"Natural Sciences and Engineering Research Council of Canada; Dalhousie University","keywords":"Molecule; Molecular orbital; Chemistry; Ion; Ab initio; HOMO/LUMO; Redox; Thermal oxidation; Density functional theory; Atomic physics; Physical chemistry; Computational chemistry; Inorganic chemistry; Physics; 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003096906,0.0004883326,0.0004784416,0.000527916,0.0003841474,0.0004208969,0.0006842102,0.0005469658,0.001994982],"category_scores_gemma":[0.0007485342,0.0002408807,0.0002656314,0.0003745568,0.0002856388,0.0004103686,0.0002814163,0.0004747391,0.000208451],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007886134,"about_ca_system_score_gemma":0.0005870708,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001276137,"about_ca_topic_score_gemma":0.002521385,"domain_scores_codex":[0.9999069,0.00001340285,0.000003772888,0.000005773397,0.00005343317,0.00001673229],"domain_scores_gemma":[0.9998531,0.00007911547,0.00001233431,0.000009636279,0.00003575102,0.00001002729],"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":[0.000364238,0.0001036842,0.002571952,0.0007378491,0.00006089159,0.0003691783,0.0001519903,0.8902822,0.04761323,0.02376362,0.0006500622,0.03333111],"study_design_scores_gemma":[0.00005395848,0.000178774,0.0007968812,0.00002396442,0.0000280443,0.00004108697,0.00006104101,0.9673631,0.02722963,0.002867664,0.001338568,0.00001726728],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9481075,0.000945048,0.04123002,0.0001812843,0.0000551525,0.00008106932,0.000233537,0.0002484156,0.008917903],"genre_scores_gemma":[0.9872749,0.0003633903,0.01062636,0.00002010086,0.000004324024,0.00009803552,0.0001113883,0.00002051249,0.001480907],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001994982,"threshold_uncertainty_score":0.006673813,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.004932303581276656,"score_gpt":0.2180280708972542,"score_spread":0.2130957673159775,"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."}}