{"id":"W2066768778","doi":"10.1039/c4cp04069d","title":"Encapsulation of diatomic molecules in fullerene C<sub>60</sub>: implications for their main properties","year":2014,"lang":"en","type":"article","venue":"Physical Chemistry Chemical Physics","topic":"Fullerene Chemistry and Applications","field":"Chemistry","cited_by":35,"is_retracted":false,"has_abstract":true,"ca_institutions":"Concordia University","funders":"","keywords":"Diatomic molecule; Molecule; Endohedral fullerene; Chemistry; Dipole; Chemical polarity; Fullerene; Intramolecular force; Molecular geometry; Atomic physics; Chemical physics; Computational chemistry; Physics; Stereochemistry","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":[0.000079643,0.0003091384,0.0003295722,0.0001055326,0.0002331143,0.000380061,0.000214115,0.0003375071,0.001550072],"category_scores_gemma":[0.0002205353,0.00008247081,0.0001512376,0.0001313598,0.0002156036,0.0003413792,0.0003038983,0.0001903845,0.0002223714],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003153849,"about_ca_system_score_gemma":0.00009633904,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006311968,"about_ca_topic_score_gemma":0.0006641165,"domain_scores_codex":[0.9999394,0.00000397178,0.000003339093,0.00001007371,0.00002208805,0.00002114923],"domain_scores_gemma":[0.9999405,0.00001688346,0.00001476615,0.000006213079,0.000008092633,0.00001355646],"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":[0.0003012565,0.00009415406,0.003328075,0.0003343893,0.00004762589,0.0002336214,0.0001023554,0.01438935,0.9676338,0.003564859,0.0001732941,0.009797202],"study_design_scores_gemma":[0.0000720666,0.0009819831,0.02706173,0.00005714873,0.0001336635,0.0005543085,0.0003609008,0.08964353,0.8732661,0.001737983,0.006065454,0.00006522209],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.996893,0.0004017896,0.001288733,0.00003329601,0.000007866162,0.000005145401,0.00004575369,0.00001882643,0.001305562],"genre_scores_gemma":[0.9992464,0.0001361818,0.0003598877,0.000009892499,0.000001332531,0.000005193766,0.00004942501,0.00000981471,0.000182064],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001550072,"threshold_uncertainty_score":0.005185544,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01724856088971099,"score_gpt":0.2282902261943872,"score_spread":0.2110416653046762,"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."}}