{"id":"W2896925843","doi":"10.1007/s11224-018-1200-7","title":"Instability of two–dimensional structure of dichalcogenin and dipnictogenin octa–heterocyclic systems with 1,2–C6X2(X = O, S, Se, Te, N, P) unsaturated rings","year":2018,"lang":"en","type":"article","venue":"Structural Chemistry","topic":"Advanced Chemical Physics Studies","field":"Physics and Astronomy","cited_by":4,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Alberta","funders":"","keywords":"Chemistry; Intramolecular force; Crystallography; Excited state; Ring (chemistry); Hydrogen bond; Molecule; Planarity testing; Potential energy surface; Ab initio; Planar; Instability; Halogen; Ground state; Computational chemistry; Stereochemistry; 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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.00002094247,0.0003256433,0.0004997479,0.0000162206,0.0001047984,0.00001284313,0.0001799904,0.00006802193,0.00009205096],"category_scores_gemma":[0.000009531902,0.0002466778,0.00007153551,0.0001957043,0.0007990783,0.0001205546,0.0001798732,0.0002392534,3.87407e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003172846,"about_ca_system_score_gemma":0.00003248654,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001923606,"about_ca_topic_score_gemma":0.000005181504,"domain_scores_codex":[0.9985887,0.00001671589,0.0004018716,0.0004281887,0.0002704301,0.0002940485],"domain_scores_gemma":[0.9988133,0.00006208386,0.0003691641,0.0003375276,0.0003122427,0.0001056953],"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":[0.0001078761,0.00001323243,0.04193488,0.0001712615,0.0002125515,4.727334e-7,0.0002199302,0.0002214766,0.9566123,0.0001871822,0.00001382298,0.0003050557],"study_design_scores_gemma":[0.0009104146,0.00004584922,0.003619204,0.00007618031,0.00006422133,0.000008093829,0.0002413031,0.0001410724,0.9864256,0.00817828,0.00001411608,0.0002756279],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.998542,0.0001724216,0.00002820451,0.000009063158,0.00005569955,0.0001478904,0.0004084968,0.00002468705,0.0006115751],"genre_scores_gemma":[0.9990978,4.596737e-7,0.0004827726,0.000004878876,0.0002403198,0.000004666401,0.00009575069,0.00002512354,0.0000482858],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03831567,"threshold_uncertainty_score":0.9999986,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0061992385253145,"score_gpt":0.2398057596895733,"score_spread":0.2336065211642588,"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."}}