{"id":"W1965425872","doi":"10.1021/jp076567k","title":"Microsolvation of the Sodium and Iodide Ions and Their Ion Pair in Acetonitrile Clusters:  A Theoretical Study","year":2008,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry B","topic":"Spectroscopy and Quantum Chemical Studies","field":"Physics and Astronomy","cited_by":18,"is_retracted":false,"has_abstract":true,"ca_institutions":"Concordia University","funders":"","keywords":"Solvation; Acetonitrile; Solvation shell; Ion; Chemistry; Dissociation (chemistry); Ionic bonding; Cluster (spacecraft); Molecule; Iodide; Chemical physics; Physical chemistry; Inorganic chemistry; Organic chemistry","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":[0.0001668434,0.0001013986,0.0002132297,0.00000659191,0.0001398404,0.000007360931,0.0001324987,0.00001755232,0.00001235153],"category_scores_gemma":[0.00002385396,0.00004869439,0.00007207589,0.00009858583,0.0006458449,0.00004550219,0.0001047535,0.0002744129,1.652796e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000141621,"about_ca_system_score_gemma":0.00002049452,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001804304,"about_ca_topic_score_gemma":5.110196e-7,"domain_scores_codex":[0.9994507,0.00005390576,0.0002037821,0.00007042714,0.000106153,0.0001149867],"domain_scores_gemma":[0.9994078,0.0002564177,0.0001491029,0.0001032068,0.00004830867,0.00003512342],"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":[0.0001870347,0.0007475655,0.046534,0.00002404532,0.00008986848,8.102136e-7,0.008766588,0.00001424429,0.942674,0.0005886552,0.00008021562,0.0002929295],"study_design_scores_gemma":[0.0009675789,0.0001340563,0.01981401,0.00006494053,0.00005380331,0.00001526918,0.005598928,0.0003977552,0.9607918,0.01205891,0.00001801516,0.000084893],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9991351,0.00008644549,0.00003899964,0.0003333068,0.00001061877,0.00007755397,0.000005998207,0.000001794113,0.000310124],"genre_scores_gemma":[0.9997571,0.00000977735,0.000007663398,0.00001110796,0.0001961087,0.000001985166,3.942505e-7,0.000004672764,0.00001121123],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02671999,"threshold_uncertainty_score":0.2379643,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007802352798478225,"score_gpt":0.2314233632356383,"score_spread":0.2236210104371601,"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."}}