{"id":"W4417201998","doi":"10.1021/prechem.5c00188","title":"Synthesis of <i>Bis</i> -Schiff Base (1 <i>E</i> ,1′ <i>E</i> )-1,1′-(1,4-Phenylene)bis( <i>N</i> -(2,3-dihydrobenzo[ <i>b</i> ][1,4]dioxin-6-yl)methanimine): A Combined Experimental and Theoretical Approach","year":2025,"lang":"en","type":"article","venue":"Precision Chemistry","topic":"Nonlinear Optical Materials Research","field":"Materials Science","cited_by":10,"is_retracted":false,"has_abstract":true,"ca_institutions":"Centre for Global Health Research","funders":"","keywords":"Natural bond orbital; Molecular orbital; Intramolecular force; Intermolecular force; Density functional theory; Basis set; Hydrogen bond; Electron localization function; Molecule; Charge density","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":[0.00009606769,0.0003561765,0.0002321855,0.0001834325,0.0001539229,0.0001188495,0.0003955959,0.0002097617,0.00164357],"category_scores_gemma":[0.00006300728,0.0001646928,0.0001547408,0.0001809794,0.00008600008,0.0001784982,0.0001653463,0.0002357334,0.0006803721],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002075286,"about_ca_system_score_gemma":0.0002381431,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002356251,"about_ca_topic_score_gemma":0.0006585976,"domain_scores_codex":[0.999949,0.000005716234,0.000005065303,0.00001460109,0.00001446827,0.00001128752],"domain_scores_gemma":[0.9999762,0.000001643487,0.000007819274,0.000002424723,0.000005769955,0.000006164843],"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":[0.00005814842,0.00005291349,0.00008795552,0.0003850374,0.00001028891,0.0001055244,0.00001762402,0.0005477894,0.9907705,0.001270632,0.0002412802,0.00645237],"study_design_scores_gemma":[0.00004491956,0.000995095,0.0008512022,0.00001403263,0.00002244932,0.000244079,0.00002231406,0.002053339,0.9834945,0.0001823044,0.01205836,0.00001754281],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9429092,0.003681358,0.03560689,0.0002652984,0.0001487822,0.0006526088,0.001395301,0.0003571589,0.01498328],"genre_scores_gemma":[0.9544361,0.002968837,0.03451823,0.0001018625,0.00002535683,0.0002888151,0.0009057806,0.00003093716,0.006724085],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00164357,"threshold_uncertainty_score":0.00549829,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009910981515595463,"score_gpt":0.2717731287048517,"score_spread":0.2618621471892562,"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."}}