{"id":"W3028776198","doi":"10.1016/j.molstruc.2020.128492","title":"Synthesis, structural investigation and NLO properties of three 1,2,4-triazole Schiff bases","year":2020,"lang":"en","type":"article","venue":"Journal of Molecular Structure","topic":"Nonlinear Optical Materials Research","field":"Materials Science","cited_by":30,"is_retracted":false,"has_abstract":false,"ca_institutions":"","funders":"Institut Jean Barriol, Université de Lorraine; Centre National de la Recherche Scientifique; Deutscher Akademischer Austauschdienst; Deutsche Forschungsgemeinschaft; Providence Health Care; Université de Lorraine","keywords":"Chemistry; Schiff base; Supramolecular chemistry; Triazole; Halogen; Tautomer; 1,2,4-Triazole; Crystallography; Hydrogen bond; Imine; Molecule; Intermolecular force; Bromine; Crystal structure; Stereochemistry; Organic chemistry","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002298865,0.0001413195,0.0003631994,0.00007070475,0.00005106327,0.0001027269,0.0002944053,0.00008600085,0.0002368379],"category_scores_gemma":[0.001057667,0.00009510892,0.00006389931,0.0001309761,0.0002427117,0.0002252371,0.0001184127,0.0001952248,0.000002620112],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001620054,"about_ca_system_score_gemma":0.0001366395,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001219499,"about_ca_topic_score_gemma":0.000002936072,"domain_scores_codex":[0.9984573,0.0001630182,0.0004775697,0.0001575908,0.0005653395,0.0001791404],"domain_scores_gemma":[0.9990201,0.00005295211,0.0003198457,0.0001321956,0.0002716413,0.0002032455],"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":[0.0002106309,0.000003482011,0.0005732568,0.0001763759,0.00002102044,0.0000289986,0.0001227669,0.0001391129,0.9979614,0.0002583118,0.00002230915,0.0004823217],"study_design_scores_gemma":[0.0003067818,0.0001579354,0.002979577,0.00010662,0.00004015955,0.00008231155,0.00005151779,0.0003405562,0.9945834,0.00122725,0.00002475915,0.00009912716],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9969575,0.0007891734,0.0001872728,0.001743959,0.0001372906,0.0001272315,0.00003927038,0.000009507985,0.000008754535],"genre_scores_gemma":[0.9879205,0.00001306587,0.01169187,0.0001645727,0.0001906893,8.386038e-7,8.914847e-7,0.00001680177,7.192374e-7],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0115046,"threshold_uncertainty_score":0.3878429,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0292056605507536,"score_gpt":0.2510222545826467,"score_spread":0.221816594031893,"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."}}